2-(benzylamino)-2-(4-methylphenyl)propan-1-ol

C17H21NO — CID 61045814

IUPAC2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)17(2,13-19)18-12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3
InChIKeyWJDCANRKTJNRBS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.99
Rot. Bonds5

About 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol

2-(benzylamino)-2-(4-methylphenyl)propan-1-ol (PubChem CID 61045814) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
PubChem CID61045814
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)17(2,13-19)18-12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3
InChIKeyWJDCANRKTJNRBS-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol (CID 61045814) is 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(C)(CO)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is WJDCANRKTJNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)17(2,13-19)18-12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol?
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 61045814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).