[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine

C16H18ClNO — CID 102663465

IUPAC[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(C)cc(OCc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-5-12(2)7-15(6-11)19-10-14-4-3-13(9-18)8-16(14)17/h3-8H,9-10,18H2,1-2H3
InChIKeyUHUJBYUAYOAQGT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.99
Rot. Bonds4

About [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine

[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine (PubChem CID 102663465) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
PubChem CID102663465
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(C)cc(OCc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-5-12(2)7-15(6-11)19-10-14-4-3-13(9-18)8-16(14)17/h3-8H,9-10,18H2,1-2H3
InChIKeyUHUJBYUAYOAQGT-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

4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
[3-bromo-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102773013
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine (CID 102663465) is [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine is Cc1cc(C)cc(OCc2ccc(CN)cc2Cl)c1.
What is the InChIKey of [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine?
The InChIKey is UHUJBYUAYOAQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-5-12(2)7-15(6-11)19-10-14-4-3-13(9-18)8-16(14)17/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine?
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]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 [3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 102663465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).