N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C16H17Cl2NO — CID 62050092

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-3-5-16(20-2)6-4-13)19-10-12-7-14(17)9-15(18)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyZKLHSECZMWENOB-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 62050092) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID62050092
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-3-5-16(20-2)6-4-13)19-10-12-7-14(17)9-15(18)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyZKLHSECZMWENOB-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 79427378
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 62050092) is N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ZKLHSECZMWENOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(13-3-5-16(20-2)6-4-13)19-10-12-7-14(17)9-15(18)8-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 62050092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).