(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine

C18H21Cl2NO — CID 40726182

IUPAC(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H21Cl2NO/c1-3-13(2)21-11-14-5-4-6-17(9-14)22-12-15-7-8-16(19)10-18(15)20/h4-10,13,21H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZXQQQZKOOMMFSC-CYBMUJFWSA-N
MW338.28 g/mol
LogP5.46
Rot. Bonds7

About (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine

(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 40726182) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID40726182
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H21Cl2NO/c1-3-13(2)21-11-14-5-4-6-17(9-14)22-12-15-7-8-16(19)10-18(15)20/h4-10,13,21H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZXQQQZKOOMMFSC-CYBMUJFWSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
(2S)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726644
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine (CID 40726182) is (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine is CC[C@@H](C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is ZXQQQZKOOMMFSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-3-13(2)21-11-14-5-4-6-17(9-14)22-12-15-7-8-16(19)10-18(15)20/h4-10,13,21H,3,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine has a molecular weight of 338.28 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 40726182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).