1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol

C19H24ClNO — CID 46007574

IUPAC1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
SMILESCC(C)N(Cc1ccccc1Cl)CC(O)Cc1ccccc1
InChIInChI=1S/C19H24ClNO/c1-15(2)21(13-17-10-6-7-11-19(17)20)14-18(22)12-16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3
InChIKeyLFFHPFPUWKNQPN-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.15
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol

1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol (PubChem CID 46007574) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
PubChem CID46007574
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
SMILESCC(C)N(Cc1ccccc1Cl)CC(O)Cc1ccccc1
InChIInChI=1S/C19H24ClNO/c1-15(2)21(13-17-10-6-7-11-19(17)20)14-18(22)12-16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3
InChIKeyLFFHPFPUWKNQPN-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276
1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 42837065
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 62047660
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol (CID 46007574) is 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol is CC(C)N(Cc1ccccc1Cl)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol?
The InChIKey is LFFHPFPUWKNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-15(2)21(13-17-10-6-7-11-19(17)20)14-18(22)12-16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol?
1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol has a molecular weight of 317.86 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46007574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).