2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol

C17H22N2O — CID 107926215

IUPAC2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
SMILESCc1ccc(NC(CO)Cc2ccccc2)c(CN)c1
InChIInChI=1S/C17H22N2O/c1-13-7-8-17(15(9-13)11-18)19-16(12-20)10-14-5-3-2-4-6-14/h2-9,16,19-20H,10-12,18H2,1H3
InChIKeyYDTKHNROPIXESB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol

2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol (PubChem CID 107926215) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
PubChem CID107926215
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
SMILESCc1ccc(NC(CO)Cc2ccccc2)c(CN)c1
InChIInChI=1S/C17H22N2O/c1-13-7-8-17(15(9-13)11-18)19-16(12-20)10-14-5-3-2-4-6-14/h2-9,16,19-20H,10-12,18H2,1H3
InChIKeyYDTKHNROPIXESB-UHFFFAOYSA-N
XLogP2.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
CID 63272332
2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
CID 107105706
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
3-(4-methylphenyl)-2-(2-nitroanilino)propan-1-ol
CID 156674405
2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
CID 66101497
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol (CID 107926215) is 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol is Cc1ccc(NC(CO)Cc2ccccc2)c(CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol?
The InChIKey is YDTKHNROPIXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-7-8-17(15(9-13)11-18)19-16(12-20)10-14-5-3-2-4-6-14/h2-9,16,19-20H,10-12,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol?
2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).