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

C18H23NO — CID 62612269

IUPAC3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-8-10-16(11-9-15)14-19(2)13-12-18(20)17-6-4-3-5-7-17/h3-11,18,20H,12-14H2,1-2H3
InChIKeyJJFHLUHXGUBVIN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds6

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

3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol (PubChem CID 62612269) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
PubChem CID62612269
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-8-10-16(11-9-15)14-19(2)13-12-18(20)17-6-4-3-5-7-17/h3-11,18,20H,12-14H2,1-2H3
InChIKeyJJFHLUHXGUBVIN-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
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
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 99957750
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol (CID 62612269) is 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol is Cc1ccc(CN(C)CCC(O)c2ccccc2)cc1.
What is the InChIKey of 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is JJFHLUHXGUBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-8-10-16(11-9-15)14-19(2)13-12-18(20)17-6-4-3-5-7-17/h3-11,18,20H,12-14H2,1-2H3.
What are the key properties of 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol?
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62612269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).