N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

C14H20ClNO — CID 104815987

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CCCC1C
InChIInChI=1S/C14H20ClNO/c1-10-5-3-7-13(10)16-9-11-12(15)6-4-8-14(11)17-2/h4,6,8,10,13,16H,3,5,7,9H2,1-2H3
InChIKeyLOPLERKKMYRNKO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 104815987) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID104815987
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CCCC1C
InChIInChI=1S/C14H20ClNO/c1-10-5-3-7-13(10)16-9-11-12(15)6-4-8-14(11)17-2/h4,6,8,10,13,16H,3,5,7,9H2,1-2H3
InChIKeyLOPLERKKMYRNKO-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine
CID 104928154

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (CID 104815987) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is COc1cccc(Cl)c1CNC1CCCC1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is LOPLERKKMYRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-5-3-7-13(10)16-9-11-12(15)6-4-8-14(11)17-2/h4,6,8,10,13,16H,3,5,7,9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 104815987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).