2-amino-2,3-bis(4-methylphenyl)propan-1-ol

C17H21NO — CID 18723694

IUPAC2-amino-2,3-bis(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(N)(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-7-15(8-4-13)11-17(18,12-19)16-9-5-14(2)6-10-16/h3-10,19H,11-12,18H2,1-2H3
InChIKeyXKWMARNLRDLSKN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-2,3-bis(4-methylphenyl)propan-1-ol

2-amino-2,3-bis(4-methylphenyl)propan-1-ol (PubChem CID 18723694) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-2,3-bis(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2,3-bis(4-methylphenyl)propan-1-ol
PubChem CID18723694
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-amino-2,3-bis(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(N)(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-7-15(8-4-13)11-17(18,12-19)16-9-5-14(2)6-10-16/h3-10,19H,11-12,18H2,1-2H3
InChIKeyXKWMARNLRDLSKN-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-[1,1,2-tris(4-methylphenyl)ethyl]propane-1,3-diol
CID 175442713
2-methyl-2-[(4-methylphenyl)methyl]propane-1,3-diol
CID 54018916
1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine
CID 43829802
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
CID 117111989
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
2-amino-2-(4-bromophenyl)propane-1,3-diol
CID 130045533
1-[1-chloro-2-(chloromethyl)-3-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 79448356
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
(4-methylphenyl)methanol
CID 138734499
2-amino-2-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]propane-1,3-diol
CID 143349364
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-bis(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-2,3-bis(4-methylphenyl)propan-1-ol (CID 18723694) is 2-amino-2,3-bis(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2,3-bis(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-2,3-bis(4-methylphenyl)propan-1-ol is Cc1ccc(CC(N)(CO)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-amino-2,3-bis(4-methylphenyl)propan-1-ol?
The InChIKey is XKWMARNLRDLSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-3-7-15(8-4-13)11-17(18,12-19)16-9-5-14(2)6-10-16/h3-10,19H,11-12,18H2,1-2H3.
What are the key properties of 2-amino-2,3-bis(4-methylphenyl)propan-1-ol?
2-amino-2,3-bis(4-methylphenyl)propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-bis(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 18723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).