(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine

C15H17NO — CID 67664030

IUPAC(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
SMILESCN[C@@H](C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-12,16H,1-2H3/t12-/m0/s1
InChIKeyVWNDBMJMUZAPHS-LBPRGKRZSA-N
MW227.31 g/mol
LogP3.76
Rot. Bonds4

About (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine

(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine (PubChem CID 67664030) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
PubChem CID67664030
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
SMILESCN[C@@H](C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-12,16H,1-2H3/t12-/m0/s1
InChIKeyVWNDBMJMUZAPHS-LBPRGKRZSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
ethane;N-methyl-1-phenylethanamine
CID 91444453
N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116909235
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709067
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine (CID 67664030) is (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine is CN[C@@H](C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine?
The InChIKey is VWNDBMJMUZAPHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-12,16H,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine?
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine is sourced from PubChem (CID 67664030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).