1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol

C21H30N2O — CID 42794850

IUPAC1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
SMILESCc1ccccc1Cn1cccc1CN(CC(O)C(C)C)C1CC1
InChIInChI=1S/C21H30N2O/c1-16(2)21(24)15-23(19-10-11-19)14-20-9-6-12-22(20)13-18-8-5-4-7-17(18)3/h4-9,12,16,19,21,24H,10-11,13-15H2,1-3H3
InChIKeyADIMUAZPSKRRLY-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.83
Rot. Bonds8

About 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol

1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol (PubChem CID 42794850) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
PubChem CID42794850
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
SMILESCc1ccccc1Cn1cccc1CN(CC(O)C(C)C)C1CC1
InChIInChI=1S/C21H30N2O/c1-16(2)21(24)15-23(19-10-11-19)14-20-9-6-12-22(20)13-18-8-5-4-7-17(18)3/h4-9,12,16,19,21,24H,10-11,13-15H2,1-3H3
InChIKeyADIMUAZPSKRRLY-UHFFFAOYSA-N
XLogP3.83
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42794853
3-methyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]butan-2-ol
CID 42794839
1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
CID 42794844
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 42794852
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795125
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
(2R)-1-[cyclopropyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 7409827
2-chloro-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5112209
3-[cyclopropyl-[(2-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82327858
[(2S)-2-hydroxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7364052
(2R)-1-[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7207225

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol (CID 42794850) is 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol is Cc1ccccc1Cn1cccc1CN(CC(O)C(C)C)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol?
The InChIKey is ADIMUAZPSKRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(2)21(24)15-23(19-10-11-19)14-20-9-6-12-22(20)13-18-8-5-4-7-17(18)3/h4-9,12,16,19,21,24H,10-11,13-15H2,1-3H3.
What are the key properties of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol?
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol has a molecular weight of 326.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol is sourced from PubChem (CID 42794850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).