(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine

C21H21NO — CID 154814748

IUPAC(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-16(22)18-11-13-19(14-12-18)20-9-5-6-10-21(20)23-15-17-7-3-2-4-8-17/h2-14,16H,15,22H2,1H3/t16-/m0/s1
InChIKeyIELCJMKZKJGYEQ-INIZCTEOSA-N
MW303.40 g/mol
LogP4.95
Rot. Bonds5

About (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine

(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine (PubChem CID 154814748) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
PubChem CID154814748
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-16(22)18-11-13-19(14-12-18)20-9-5-6-10-21(20)23-15-17-7-3-2-4-8-17/h2-14,16H,15,22H2,1H3/t16-/m0/s1
InChIKeyIELCJMKZKJGYEQ-INIZCTEOSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680
1-(diaminomethylidene)-2-[4-(2-phenylmethoxyphenyl)phenyl]guanidine
CID 168603689
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine (CID 154814748) is (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine is C[C@H](N)c1ccc(-c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The InChIKey is IELCJMKZKJGYEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21NO/c1-16(22)18-11-13-19(14-12-18)20-9-5-6-10-21(20)23-15-17-7-3-2-4-8-17/h2-14,16H,15,22H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine?
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine has a molecular weight of 303.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 154814748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).