2-(2-chlorophenyl)-4-phenoxybutan-2-amine

C16H18ClNO — CID 55096015

IUPAC2-(2-chlorophenyl)-4-phenoxybutan-2-amine
SMILESCC(N)(CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-16(18,14-9-5-6-10-15(14)17)11-12-19-13-7-3-2-4-8-13/h2-10H,11-12,18H2,1H3
InChIKeyYRUBLGRBXHEWTG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-chlorophenyl)-4-phenoxybutan-2-amine

2-(2-chlorophenyl)-4-phenoxybutan-2-amine (PubChem CID 55096015) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-phenoxybutan-2-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-phenoxybutan-2-amine
PubChem CID55096015
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(2-chlorophenyl)-4-phenoxybutan-2-amine
SMILESCC(N)(CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-16(18,14-9-5-6-10-15(14)17)11-12-19-13-7-3-2-4-8-13/h2-10H,11-12,18H2,1H3
InChIKeyYRUBLGRBXHEWTG-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 62800982
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
3-[4-[2-[1,1-bis(2-chlorophenyl)ethyl-methylamino]ethoxy]phenyl]-2,2-difluoropropanoic acid
CID 22345536
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-phenoxybutan-2-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-phenoxybutan-2-amine (CID 55096015) is 2-(2-chlorophenyl)-4-phenoxybutan-2-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-phenoxybutan-2-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-phenoxybutan-2-amine is CC(N)(CCOc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-phenoxybutan-2-amine?
The InChIKey is YRUBLGRBXHEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(18,14-9-5-6-10-15(14)17)11-12-19-13-7-3-2-4-8-13/h2-10H,11-12,18H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-phenoxybutan-2-amine?
2-(2-chlorophenyl)-4-phenoxybutan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-phenoxybutan-2-amine is sourced from PubChem (CID 55096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).