1-[3-(2-chlorophenoxy)phenyl]butan-2-amine

C16H18ClNO — CID 63941363

IUPAC1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-2-13(18)10-12-6-5-7-14(11-12)19-16-9-4-3-8-15(16)17/h3-9,11,13H,2,10,18H2,1H3
InChIKeyKGIJEQFXBVNHEL-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine

1-[3-(2-chlorophenoxy)phenyl]butan-2-amine (PubChem CID 63941363) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
PubChem CID63941363
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-2-13(18)10-12-6-5-7-14(11-12)19-16-9-4-3-8-15(16)17/h3-9,11,13H,2,10,18H2,1H3
InChIKeyKGIJEQFXBVNHEL-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chloro-5-methylphenoxy)phenyl]butan-2-amine
CID 63943720
1-[3-(4-bromo-2-chlorophenoxy)phenyl]butan-2-amine
CID 63942550
1-[3-(3,5-dichlorophenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889011
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine (CID 63941363) is 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(Oc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine?
The InChIKey is KGIJEQFXBVNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-13(18)10-12-6-5-7-14(11-12)19-16-9-4-3-8-15(16)17/h3-9,11,13H,2,10,18H2,1H3.
What are the key properties of 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine?
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 63941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).