1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol

C18H22ClNO — CID 63487553

IUPAC1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1cc(C)cc(N(C)CCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-13-9-14(2)11-17(10-13)20(3)8-7-18(21)15-5-4-6-16(19)12-15/h4-6,9-12,18,21H,7-8H2,1-3H3
InChIKeyZNVBDAKQFYAXJS-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.52
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol

1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol (PubChem CID 63487553) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
PubChem CID63487553
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1cc(C)cc(N(C)CCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-13-9-14(2)11-17(10-13)20(3)8-7-18(21)15-5-4-6-16(19)12-15/h4-6,9-12,18,21H,7-8H2,1-3H3
InChIKeyZNVBDAKQFYAXJS-UHFFFAOYSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
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-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol (CID 63487553) is 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol is Cc1cc(C)cc(N(C)CCC(O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The InChIKey is ZNVBDAKQFYAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13-9-14(2)11-17(10-13)20(3)8-7-18(21)15-5-4-6-16(19)12-15/h4-6,9-12,18,21H,7-8H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol is sourced from PubChem (CID 63487553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).