4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine

C17H20ClNO — CID 15059553

IUPAC4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(19)5-6-14-7-9-17(10-8-14)20-12-15-3-2-4-16(18)11-15/h2-4,7-11,13H,5-6,12,19H2,1H3
InChIKeyCHZWHHGCKYVNJG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.20
Rot. Bonds6

About 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine

4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 15059553) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID15059553
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(19)5-6-14-7-9-17(10-8-14)20-12-15-3-2-4-16(18)11-15/h2-4,7-11,13H,5-6,12,19H2,1H3
InChIKeyCHZWHHGCKYVNJG-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
CID 67730836
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60800997

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine (CID 15059553) is 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine is CC(N)CCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is CHZWHHGCKYVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(19)5-6-14-7-9-17(10-8-14)20-12-15-3-2-4-16(18)11-15/h2-4,7-11,13H,5-6,12,19H2,1H3.
What are the key properties of 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 15059553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).