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

C18H23NO — CID 61045809

IUPAC2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc(C(C)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-9-11-17(12-10-15)18(2,14-20)19-13-16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyZAHWQBUJYOJHNK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds6

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

2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol (PubChem CID 61045809) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
PubChem CID61045809
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc(C(C)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-9-11-17(12-10-15)18(2,14-20)19-13-16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyZAHWQBUJYOJHNK-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 61045461
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol (CID 61045809) is 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol is CCc1ccc(C(C)(CO)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol?
The InChIKey is ZAHWQBUJYOJHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-9-11-17(12-10-15)18(2,14-20)19-13-16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol?
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol is sourced from PubChem (CID 61045809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).