1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine

C13H18ClNO — CID 83912543

IUPAC1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
SMILESCOc1ccc(Cl)cc1CCCC1(N)CC1
InChIInChI=1S/C13H18ClNO/c1-16-12-5-4-11(14)9-10(12)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyVBENLDBWQVFNRV-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.16
Rot. Bonds5

About 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine

1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine (PubChem CID 83912543) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
PubChem CID83912543
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
SMILESCOc1ccc(Cl)cc1CCCC1(N)CC1
InChIInChI=1S/C13H18ClNO/c1-16-12-5-4-11(14)9-10(12)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyVBENLDBWQVFNRV-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
4-(5-chloro-2-methoxyphenyl)butan-1-ol
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1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871
4-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933152
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
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4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
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2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
CID 95447663

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine (CID 83912543) is 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine is COc1ccc(Cl)cc1CCCC1(N)CC1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine?
The InChIKey is VBENLDBWQVFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-12-5-4-11(14)9-10(12)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3.
What are the key properties of 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine?
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 83912543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).