[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine

C14H13Cl2NO — CID 22687493

IUPAC[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7H,8-9,17H2
InChIKeyBBRKOBRIBVXCST-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.03
Rot. Bonds4

About [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine

[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine (PubChem CID 22687493) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
PubChem CID22687493
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7H,8-9,17H2
InChIKeyBBRKOBRIBVXCST-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine (CID 22687493) is [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine?
The InChIKey is BBRKOBRIBVXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7H,8-9,17H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine?
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 22687493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).