1-(cyclopropylmethylamino)-3-phenylpropan-2-ol

C13H19NO — CID 111104724

IUPAC1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
SMILESOC(CNCC1CC1)Cc1ccccc1
InChIInChI=1S/C13H19NO/c15-13(10-14-9-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeySHAAGJDCTLEQGU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.59
Rot. Bonds6

About 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol

1-(cyclopropylmethylamino)-3-phenylpropan-2-ol (PubChem CID 111104724) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
PubChem CID111104724
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
SMILESOC(CNCC1CC1)Cc1ccccc1
InChIInChI=1S/C13H19NO/c15-13(10-14-9-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeySHAAGJDCTLEQGU-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(2S,3R)-4-(cyclopropylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69357615
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
N-[(2S,3R)-4-(cyclopentylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 59132104
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424
1,6-diphenylhexane-2,5-diol
CID 15072586
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol (CID 111104724) is 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol is OC(CNCC1CC1)Cc1ccccc1.
What is the InChIKey of 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol?
The InChIKey is SHAAGJDCTLEQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13(10-14-9-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2.
What are the key properties of 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol?
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 111104724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).