1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol

C18H22ClNO — CID 62643532

IUPAC1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3
InChIKeyNMJDJCCPFDEKNR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol

1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 62643532) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
PubChem CID62643532
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3
InChIKeyNMJDJCCPFDEKNR-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol (CID 62643532) is 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol is Cc1ccc(CN(C)CCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is NMJDJCCPFDEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 62643532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).