1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol

C18H25N3O — CID 82136106

IUPAC1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCc1ccc(C(O)CCN(C)CCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14-3-4-16(13-17(14)19)18(22)8-12-21(2)11-7-15-5-9-20-10-6-15/h3-6,9-10,13,18,22H,7-8,11-12,19H2,1-2H3
InChIKeyLKRYQPOJEROHRF-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.57
Rot. Bonds7

About 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol

1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol (PubChem CID 82136106) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
PubChem CID82136106
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCc1ccc(C(O)CCN(C)CCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14-3-4-16(13-17(14)19)18(22)8-12-21(2)11-7-15-5-9-20-10-6-15/h3-6,9-10,13,18,22H,7-8,11-12,19H2,1-2H3
InChIKeyLKRYQPOJEROHRF-UHFFFAOYSA-N
XLogP2.57
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
CID 82136110
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
CID 162200310
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline
CID 82256061

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol (CID 82136106) is 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol is Cc1ccc(C(O)CCN(C)CCc2ccncc2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The InChIKey is LKRYQPOJEROHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-3-4-16(13-17(14)19)18(22)8-12-21(2)11-7-15-5-9-20-10-6-15/h3-6,9-10,13,18,22H,7-8,11-12,19H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 82136106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).