1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol

C15H22ClNO — CID 115898611

IUPAC1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
SMILESCCC(O)CCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H22ClNO/c1-2-14(18)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,14-15,17-18H,2-4,9-10H2,1H3
InChIKeyJMAAZKFBWJMHCR-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.54
Rot. Bonds7

About 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol

1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol (PubChem CID 115898611) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
PubChem CID115898611
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
SMILESCCC(O)CCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H22ClNO/c1-2-14(18)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,14-15,17-18H,2-4,9-10H2,1H3
InChIKeyJMAAZKFBWJMHCR-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol?
The IUPAC name of 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol (CID 115898611) is 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol?
The canonical SMILES for 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol is CCC(O)CCNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol?
The InChIKey is JMAAZKFBWJMHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-14(18)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,14-15,17-18H,2-4,9-10H2,1H3.
What are the key properties of 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol?
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol has a molecular weight of 267.80 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol is sourced from PubChem (CID 115898611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).