[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol

C17H20ClNO — CID 103947369

IUPAC[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
SMILESCCC(NCc1ccc(CO)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-2-17(15-4-3-5-16(18)10-15)19-11-13-6-8-14(12-20)9-7-13/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyVJBABDDSUVACPO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.07
Rot. Bonds6

About [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol

[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol (PubChem CID 103947369) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
PubChem CID103947369
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
SMILESCCC(NCc1ccc(CO)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-2-17(15-4-3-5-16(18)10-15)19-11-13-6-8-14(12-20)9-7-13/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyVJBABDDSUVACPO-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
5-[[1-(3-chlorophenyl)propylamino]methyl]-2-fluorobenzonitrile
CID 103913061
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909523
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
2-chloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 115904752
2,4-dichloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 43674065
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
CID 43674094
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol (CID 103947369) is [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol is CCC(NCc1ccc(CO)cc1)c1cccc(Cl)c1.
What is the InChIKey of [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol?
The InChIKey is VJBABDDSUVACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-17(15-4-3-5-16(18)10-15)19-11-13-6-8-14(12-20)9-7-13/h3-10,17,19-20H,2,11-12H2,1H3.
What are the key properties of [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol?
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol has a molecular weight of 289.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103947369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).