1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine

C15H16ClNO — CID 961380

IUPAC1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyQPGHZAPZIXMIKZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.64
Rot. Bonds5

About 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine

1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine (PubChem CID 961380) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
PubChem CID961380
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyQPGHZAPZIXMIKZ-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine (CID 961380) is 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine?
The InChIKey is QPGHZAPZIXMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine?
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 961380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).