1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine

C12H16ClNO — CID 105483503

IUPAC1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)ccc1CCC1(N)CC1
InChIInChI=1S/C12H16ClNO/c1-15-11-8-10(13)3-2-9(11)4-5-12(14)6-7-12/h2-3,8H,4-7,14H2,1H3
InChIKeyGGCDDZWOUHLWRA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine

1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105483503) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
PubChem CID105483503
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)ccc1CCC1(N)CC1
InChIInChI=1S/C12H16ClNO/c1-15-11-8-10(13)3-2-9(11)4-5-12(14)6-7-12/h2-3,8H,4-7,14H2,1H3
InChIKeyGGCDDZWOUHLWRA-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[2-(5-chloro-4-methoxy-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105484219
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine (CID 105483503) is 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine is COc1cc(Cl)ccc1CCC1(N)CC1.
What is the InChIKey of 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is GGCDDZWOUHLWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-11-8-10(13)3-2-9(11)4-5-12(14)6-7-12/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine?
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105483503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).