3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol

C16H18ClNO — CID 106864312

IUPAC3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)16(19)14(10-18)12-5-3-2-4-6-12/h2-9,14,16,19H,10,18H2,1H3
InChIKeyRQTADIVBASDPSG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.42
Rot. Bonds4

About 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol

3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol (PubChem CID 106864312) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
PubChem CID106864312
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)16(19)14(10-18)12-5-3-2-4-6-12/h2-9,14,16,19H,10,18H2,1H3
InChIKeyRQTADIVBASDPSG-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol (CID 106864312) is 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol is Cc1ccc(C(O)C(CN)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol?
The InChIKey is RQTADIVBASDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)16(19)14(10-18)12-5-3-2-4-6-12/h2-9,14,16,19H,10,18H2,1H3.
What are the key properties of 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol?
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 106864312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).