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

C18H22ClNO — CID 82184802

IUPAC4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClNO/c1-14(20-2)6-7-15-4-3-5-18(12-15)21-13-16-8-10-17(19)11-9-16/h3-5,8-12,14,20H,6-7,13H2,1-2H3
InChIKeyMMADBJGVCITNSZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.46
Rot. Bonds7

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

4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine (PubChem CID 82184802) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
PubChem CID82184802
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClNO/c1-14(20-2)6-7-15-4-3-5-18(12-15)21-13-16-8-10-17(19)11-9-16/h3-5,8-12,14,20H,6-7,13H2,1-2H3
InChIKeyMMADBJGVCITNSZ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
CID 82540396
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-methyl-4-[4-[(3-nitrophenyl)methoxy]phenyl]butan-2-amine
CID 15059570
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
CID 91551741
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine (CID 82184802) is 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine is CNC(C)CCc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine?
The InChIKey is MMADBJGVCITNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-14(20-2)6-7-15-4-3-5-18(12-15)21-13-16-8-10-17(19)11-9-16/h3-5,8-12,14,20H,6-7,13H2,1-2H3.
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine?
4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 82184802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).