1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

C20H25NO — CID 42837050

IUPAC1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCc1cccc(CN(CC(O)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C20H25NO/c1-16-6-5-9-18(12-16)14-21(19-10-11-19)15-20(22)13-17-7-3-2-4-8-17/h2-9,12,19-20,22H,10-11,13-15H2,1H3
InChIKeyHBOXPNGYWOIRLJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.56
Rot. Bonds7

About 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 42837050) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID42837050
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCc1cccc(CN(CC(O)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C20H25NO/c1-16-6-5-9-18(12-16)14-21(19-10-11-19)15-20(22)13-17-7-3-2-4-8-17/h2-9,12,19-20,22H,10-11,13-15H2,1H3
InChIKeyHBOXPNGYWOIRLJ-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46006889
(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276
(2S)-1-[cyclopropyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93218437
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 93163145
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
CID 52676957
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71634575
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (CID 42837050) is 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is Cc1cccc(CN(CC(O)Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is HBOXPNGYWOIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16-6-5-9-18(12-16)14-21(19-10-11-19)15-20(22)13-17-7-3-2-4-8-17/h2-9,12,19-20,22H,10-11,13-15H2,1H3.
What are the key properties of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 42837050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).