ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine

C17H23NO — CID 154659540

IUPACethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
SMILESCC.C[C@H](N)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C15H17NO.C2H6/c1-12(16)14-9-7-13(8-10-14)11-17-15-5-3-2-4-6-15;1-2/h2-10,12H,11,16H2,1H3;1-2H3/t12-;/m0./s1
InChIKeyQCZUKLIQFJQYTF-YDALLXLXSA-N
MW257.38 g/mol
LogP4.31
Rot. Bonds4

About ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine

ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine (PubChem CID 154659540) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Nameethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
PubChem CID154659540
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Nameethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
SMILESCC.C[C@H](N)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C15H17NO.C2H6/c1-12(16)14-9-7-13(8-10-14)11-17-15-5-3-2-4-6-15;1-2/h2-10,12H,11,16H2,1H3;1-2H3/t12-;/m0./s1
InChIKeyQCZUKLIQFJQYTF-YDALLXLXSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(1S)-1-[4-(phenoxymethyl)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-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-(4-benzylphenyl)ethanamine
CID 3962419
4-(phenoxymethyl)aniline
CID 12712561

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine?
The IUPAC name of ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine (CID 154659540) is ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine.
What is the SMILES notation for ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine?
The canonical SMILES for ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine is CC.C[C@H](N)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine?
The InChIKey is QCZUKLIQFJQYTF-YDALLXLXSA-N. The full InChI is InChI=1S/C15H17NO.C2H6/c1-12(16)14-9-7-13(8-10-14)11-17-15-5-3-2-4-6-15;1-2/h2-10,12H,11,16H2,1H3;1-2H3/t12-;/m0./s1.
What are the key properties of ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine?
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 154659540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).