N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C22H21Cl2NO — CID 4715527

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-17-6-5-9-21(12-17)26-15-19-10-11-20(23)13-22(19)24/h2-13,16,25H,14-15H2,1H3
InChIKeyKOTUOYWTMPELMV-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.42
Rot. Bonds7

About N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 4715527) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID4715527
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-17-6-5-9-21(12-17)26-15-19-10-11-20(23)13-22(19)24/h2-13,16,25H,14-15H2,1H3
InChIKeyKOTUOYWTMPELMV-UHFFFAOYSA-N
XLogP6.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
CID 4715538
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 4715527) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is CC(NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is KOTUOYWTMPELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-17-6-5-9-21(12-17)26-15-19-10-11-20(23)13-22(19)24/h2-13,16,25H,14-15H2,1H3.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 386.32 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 4715527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).