1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol

C19H25NO — CID 63490120

IUPAC1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-7-17(8-6-14)19(21)9-10-20(4)18-12-15(2)11-16(3)13-18/h5-8,11-13,19,21H,9-10H2,1-4H3
InChIKeyMRJLAVRWALOICD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol

1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol (PubChem CID 63490120) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
PubChem CID63490120
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-7-17(8-6-14)19(21)9-10-20(4)18-12-15(2)11-16(3)13-18/h5-8,11-13,19,21H,9-10H2,1-4H3
InChIKeyMRJLAVRWALOICD-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol (CID 63490120) is 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol is Cc1ccc(C(O)CCN(C)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
The InChIKey is MRJLAVRWALOICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-7-17(8-6-14)19(21)9-10-20(4)18-12-15(2)11-16(3)13-18/h5-8,11-13,19,21H,9-10H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol?
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol is sourced from PubChem (CID 63490120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).