1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine

C16H18ClNO — CID 62485881

IUPAC1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-8-15(17)16(9-12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyRHVBNNFOGANKKX-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 62485881) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID62485881
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-8-15(17)16(9-12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyRHVBNNFOGANKKX-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107661048
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine (CID 62485881) is 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is RHVBNNFOGANKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-3-8-15(17)16(9-12)19-11-14-6-4-13(5-7-14)10-18-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62485881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).