N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine

C13H18ClNO — CID 115671630

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CC(C)C1
InChIInChI=1S/C13H18ClNO/c1-9-6-10(7-9)15-8-11-12(14)4-3-5-13(11)16-2/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyVCALNQGXZYWODP-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.24
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671630) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671630
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1cccc(Cl)c1CNC1CC(C)C1
InChIInChI=1S/C13H18ClNO/c1-9-6-10(7-9)15-8-11-12(14)4-3-5-13(11)16-2/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyVCALNQGXZYWODP-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
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]-1,1-dioxothian-4-amine
CID 104815757
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]-4-ethylcycloheptan-1-amine
CID 103291935
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852
N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine
CID 104928154
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine (CID 115671630) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine is COc1cccc(Cl)c1CNC1CC(C)C1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is VCALNQGXZYWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-6-10(7-9)15-8-11-12(14)4-3-5-13(11)16-2/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.24, 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]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).