3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol

C13H20ClNO — CID 62059723

IUPAC3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-13(16,4-2)10-15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyLZFNVZDKCICABM-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.98
Rot. Bonds6

About 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol

3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol (PubChem CID 62059723) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
PubChem CID62059723
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-13(16,4-2)10-15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyLZFNVZDKCICABM-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 7222054
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
3-[[[3-(3-chlorophenyl)-2,2-dimethylpropyl]amino]methyl]benzoic acid
CID 122031915
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
3-[[(3,4,5-trifluorophenyl)methylamino]methyl]pentan-3-ol
CID 63101921

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol (CID 62059723) is 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1cccc(Cl)c1.
What is the InChIKey of 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol?
The InChIKey is LZFNVZDKCICABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-13(16,4-2)10-15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol?
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol has a molecular weight of 241.76 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 62059723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).