2-[(4-ethylphenyl)methylamino]-1-phenylethanol

C17H21NO — CID 4720996

IUPAC2-[(4-ethylphenyl)methylamino]-1-phenylethanol
SMILESCCc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16/h3-11,17-19H,2,12-13H2,1H3
InChIKeyRVPGAQKKCJHKJX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]-1-phenylethanol

2-[(4-ethylphenyl)methylamino]-1-phenylethanol (PubChem CID 4720996) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]-1-phenylethanol
PubChem CID4720996
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(4-ethylphenyl)methylamino]-1-phenylethanol
SMILESCCc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16/h3-11,17-19H,2,12-13H2,1H3
InChIKeyRVPGAQKKCJHKJX-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol (CID 4720996) is 2-[(4-ethylphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol is CCc1ccc(CNCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol?
The InChIKey is RVPGAQKKCJHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16/h3-11,17-19H,2,12-13H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol?
2-[(4-ethylphenyl)methylamino]-1-phenylethanol has a molecular weight of 255.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 4720996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).