1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine

C14H18ClNO — CID 117382891

IUPAC1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H18ClNO/c1-17-12-8-10(14(16)5-2-6-14)7-11(15)13(12)9-3-4-9/h7-9H,2-6,16H2,1H3
InChIKeyQGQKLFSZCLONON-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.56
Rot. Bonds3

About 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine

1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117382891) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
PubChem CID117382891
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H18ClNO/c1-17-12-8-10(14(16)5-2-6-14)7-11(15)13(12)9-3-4-9/h7-9H,2-6,16H2,1H3
InChIKeyQGQKLFSZCLONON-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117384891
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine (CID 117382891) is 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine is COc1cc(C2(N)CCC2)cc(Cl)c1C1CC1.
What is the InChIKey of 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is QGQKLFSZCLONON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-17-12-8-10(14(16)5-2-6-14)7-11(15)13(12)9-3-4-9/h7-9H,2-6,16H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine?
1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117382891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).