(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine

C17H21NO — CID 54006451

IUPAC(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCC[C@@H](NC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-7-17(18-2)14-10-12-16(13-11-14)19-15-8-5-4-6-9-15/h4-6,8-13,17-18H,3,7H2,1-2H3/t17-/m1/s1
InChIKeyKPFDTRJSWGFHQN-QGZVFWFLSA-N
MW255.36 g/mol
LogP4.54
Rot. Bonds6

About (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine

(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine (PubChem CID 54006451) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
PubChem CID54006451
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCC[C@@H](NC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-7-17(18-2)14-10-12-16(13-11-14)19-15-8-5-4-6-9-15/h4-6,8-13,17-18H,3,7H2,1-2H3/t17-/m1/s1
InChIKeyKPFDTRJSWGFHQN-QGZVFWFLSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43482181
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(2,2-dimethylhexan-3-yl)-4-phenoxybenzene;ethane
CID 145059782
3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
CID 166338701
1,3,5-trimethyl-N-[1-(4-phenoxyphenyl)butyl]pyrazol-4-amine
CID 166338702
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The IUPAC name of (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine (CID 54006451) is (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine.
What is the SMILES notation for (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The canonical SMILES for (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine is CCC[C@@H](NC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The InChIKey is KPFDTRJSWGFHQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-7-17(18-2)14-10-12-16(13-11-14)19-15-8-5-4-6-9-15/h4-6,8-13,17-18H,3,7H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine?
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine is sourced from PubChem (CID 54006451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).