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

C15H23NO — CID 24714412

IUPAC1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-15(17)11-16(14-7-8-14)10-13-6-4-5-12(2)9-13/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyKUMUKMDRVIJIOI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds6

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

1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol (PubChem CID 24714412) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
PubChem CID24714412
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-15(17)11-16(14-7-8-14)10-13-6-4-5-12(2)9-13/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyKUMUKMDRVIJIOI-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 42837050
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 93163155
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71634575
N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
CID 52676957
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110905244
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 110898141
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46006889
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol (CID 24714412) is 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol is CCC(O)CN(Cc1cccc(C)c1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol?
The InChIKey is KUMUKMDRVIJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(17)11-16(14-7-8-14)10-13-6-4-5-12(2)9-13/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol?
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.73, 6 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]butan-2-ol is sourced from PubChem (CID 24714412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).