(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol

C24H35FN2O — CID 7364924

IUPAC(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN(Cc1cccn1Cc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C24H35FN2O/c1-2-9-23(28)19-26(16-20-10-4-3-5-11-20)18-22-13-8-15-27(22)17-21-12-6-7-14-24(21)25/h6-8,12-15,20,23,28H,2-5,9-11,16-19H2,1H3/t23-/m0/s1
InChIKeyCNAYPCTXOGQYTF-QHCPKHFHSA-N
MW386.56 g/mol
LogP5.22
Rot. Bonds10

About (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol

(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol (PubChem CID 7364924) has the molecular formula C24H35FN2O and a molecular weight of 386.56 g/mol. Its IUPAC name is (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
PubChem CID7364924
Molecular FormulaC24H35FN2O
Molecular Weight386.56 g/mol
Exact Mass386.27
IUPAC Name(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN(Cc1cccn1Cc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C24H35FN2O/c1-2-9-23(28)19-26(16-20-10-4-3-5-11-20)18-22-13-8-15-27(22)17-21-12-6-7-14-24(21)25/h6-8,12-15,20,23,28H,2-5,9-11,16-19H2,1H3/t23-/m0/s1
InChIKeyCNAYPCTXOGQYTF-QHCPKHFHSA-N
XLogP5.22
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol with MolForge

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Related Compounds

(2R)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 7364927
(2R)-1-[cyclohexylmethyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]hex-5-en-2-ol
CID 93116188
1-[cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42794874
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-hydroxybutyl]azanium
CID 7202066
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]hex-5-en-2-ol
CID 7296045
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7231467
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-methoxypropan-2-ol
CID 42794797
(2S)-1-[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
CID 7205208
(2S)-1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(cyclohexylmethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93116231
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
1-[2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 42794861

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol?
The IUPAC name of (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol (CID 7364924) is (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol.
What is the SMILES notation for (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol?
The canonical SMILES for (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol is CCC[C@H](O)CN(Cc1cccn1Cc1ccccc1F)CC1CCCCC1.
What is the InChIKey of (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol?
The InChIKey is CNAYPCTXOGQYTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35FN2O/c1-2-9-23(28)19-26(16-20-10-4-3-5-11-20)18-22-13-8-15-27(22)17-21-12-6-7-14-24(21)25/h6-8,12-15,20,23,28H,2-5,9-11,16-19H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol?
(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol has a molecular weight of 386.56 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol is sourced from PubChem (CID 7364924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).