2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol

C17H22N2O — CID 107105706

IUPAC2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
SMILESCc1cccc(CN)c1NC(CO)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-13-6-5-9-15(11-18)17(13)19-16(12-20)10-14-7-3-2-4-8-14/h2-9,16,19-20H,10-12,18H2,1H3
InChIKeyLCCDGPSKZHLCMW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol

2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol (PubChem CID 107105706) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
PubChem CID107105706
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
SMILESCc1cccc(CN)c1NC(CO)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-13-6-5-9-15(11-18)17(13)19-16(12-20)10-14-7-3-2-4-8-14/h2-9,16,19-20H,10-12,18H2,1H3
InChIKeyLCCDGPSKZHLCMW-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-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methylbenzoic acid
CID 107112184
2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
CID 107926215
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
CID 63272332
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
2-[2-(aminomethyl)-6-methylanilino]ethanol
CID 107105672
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione
CID 90665606
2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
CID 107105784
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol (CID 107105706) is 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol is Cc1cccc(CN)c1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol?
The InChIKey is LCCDGPSKZHLCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-6-5-9-15(11-18)17(13)19-16(12-20)10-14-7-3-2-4-8-14/h2-9,16,19-20H,10-12,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol?
2-[2-(aminomethyl)-6-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)-6-methylanilino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107105706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).