5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine

C13H20ClNO — CID 64503076

IUPAC5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-10(15-2)5-4-6-11-9-12(14)7-8-13(11)16-3/h7-10,15H,4-6H2,1-3H3
InChIKeyYRMUNTBFBOLMEV-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.28
Rot. Bonds6

About 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine

5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine (PubChem CID 64503076) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
PubChem CID64503076
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-10(15-2)5-4-6-11-9-12(14)7-8-13(11)16-3/h7-10,15H,4-6H2,1-3H3
InChIKeyYRMUNTBFBOLMEV-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
4-chloro-1-methoxy-2-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748743
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine (CID 64503076) is 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine is CNC(C)CCCc1cc(Cl)ccc1OC.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine?
The InChIKey is YRMUNTBFBOLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(15-2)5-4-6-11-9-12(14)7-8-13(11)16-3/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine?
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64503076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).