4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol

C18H22ClNO — CID 91535520

IUPAC4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
SMILESCN(CCCC(O)c1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H22ClNO/c1-20(14-15-7-3-2-4-8-15)12-6-11-18(21)16-9-5-10-17(19)13-16/h2-5,7-10,13,18,21H,6,11-12,14H2,1H3
InChIKeyWSLOOHNMHJQPFX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.29
Rot. Bonds7

About 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol

4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol (PubChem CID 91535520) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
PubChem CID91535520
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
SMILESCN(CCCC(O)c1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H22ClNO/c1-20(14-15-7-3-2-4-8-15)12-6-11-18(21)16-9-5-10-17(19)13-16/h2-5,7-10,13,18,21H,6,11-12,14H2,1H3
InChIKeyWSLOOHNMHJQPFX-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol?
The IUPAC name of 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol (CID 91535520) is 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol.
What is the SMILES notation for 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol?
The canonical SMILES for 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol is CN(CCCC(O)c1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol?
The InChIKey is WSLOOHNMHJQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-20(14-15-7-3-2-4-8-15)12-6-11-18(21)16-9-5-10-17(19)13-16/h2-5,7-10,13,18,21H,6,11-12,14H2,1H3.
What are the key properties of 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol?
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol is sourced from PubChem (CID 91535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).