[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine

C16H18ClNO — CID 114318594

IUPAC[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
SMILESCc1ccc(COc2cccc(Cl)c2CN)cc1C
InChIInChI=1S/C16H18ClNO/c1-11-6-7-13(8-12(11)2)10-19-16-5-3-4-15(17)14(16)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyBPAKEVAJKPZQPW-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.99
Rot. Bonds4

About [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine

[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine (PubChem CID 114318594) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
PubChem CID114318594
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
SMILESCc1ccc(COc2cccc(Cl)c2CN)cc1C
InChIInChI=1S/C16H18ClNO/c1-11-6-7-13(8-12(11)2)10-19-16-5-3-4-15(17)14(16)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyBPAKEVAJKPZQPW-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 113277003
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
3-[[2-(aminomethyl)-3-chlorophenoxy]methyl]-5-fluorobenzonitrile
CID 114318352
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine (CID 114318594) is [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine is Cc1ccc(COc2cccc(Cl)c2CN)cc1C.
What is the InChIKey of [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine?
The InChIKey is BPAKEVAJKPZQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-7-13(8-12(11)2)10-19-16-5-3-4-15(17)14(16)9-18/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine?
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114318594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).