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

C15H22ClNO — CID 104816053

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CCCC1(C)C
InChIInChI=1S/C15H22ClNO/c1-15(2)9-5-8-14(15)17-10-11-12(16)6-4-7-13(11)18-3/h4,6-7,14,17H,5,8-10H2,1-3H3
InChIKeyOVFBBNBPPMLLRN-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.02
Rot. Bonds4

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

N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 104816053) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID104816053
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CCCC1(C)C
InChIInChI=1S/C15H22ClNO/c1-15(2)9-5-8-14(15)17-10-11-12(16)6-4-7-13(11)18-3/h4,6-7,14,17H,5,8-10H2,1-3H3
InChIKeyOVFBBNBPPMLLRN-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861477
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104816003
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 104816053) is N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is COc1cccc(Cl)c1CNC1CCCC1(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is OVFBBNBPPMLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2)9-5-8-14(15)17-10-11-12(16)6-4-7-13(11)18-3/h4,6-7,14,17H,5,8-10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 4.02, 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]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104816053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).