4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol

C16H19ClN2O — CID 62630754

IUPAC4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
SMILESCN(CCC(N)c1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(14-5-7-15(20)8-6-14)10-9-16(18)12-3-2-4-13(17)11-12/h2-8,11,16,20H,9-10,18H2,1H3
InChIKeyNWUPZRLEUQCGTO-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.57
Rot. Bonds5

About 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol

4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol (PubChem CID 62630754) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
PubChem CID62630754
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
SMILESCN(CCC(N)c1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(14-5-7-15(20)8-6-14)10-9-16(18)12-3-2-4-13(17)11-12/h2-8,11,16,20H,9-10,18H2,1H3
InChIKeyNWUPZRLEUQCGTO-UHFFFAOYSA-N
XLogP3.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62628937
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol?
The IUPAC name of 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol (CID 62630754) is 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol.
What is the SMILES notation for 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol?
The canonical SMILES for 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol is CN(CCC(N)c1cccc(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol?
The InChIKey is NWUPZRLEUQCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(14-5-7-15(20)8-6-14)10-9-16(18)12-3-2-4-13(17)11-12/h2-8,11,16,20H,9-10,18H2,1H3.
What are the key properties of 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol?
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol has a molecular weight of 290.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol is sourced from PubChem (CID 62630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).