3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol

C17H21NO — CID 62617951

IUPAC3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11,17,19H,12-13H2,1-2H3
InChIKeyVHXPPACUTKLOHI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.55
Rot. Bonds5

About 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol (PubChem CID 62617951) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
PubChem CID62617951
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11,17,19H,12-13H2,1-2H3
InChIKeyVHXPPACUTKLOHI-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol (CID 62617951) is 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN(C)c2ccccc2)cc1.
What is the InChIKey of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is VHXPPACUTKLOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11,17,19H,12-13H2,1-2H3.
What are the key properties of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol?
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 62617951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).