1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C12H16ClNO — CID 83692070

IUPAC1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC1(C)C
InChIInChI=1S/C12H16ClNO/c1-11(2)7-12(11,14)9-6-8(13)4-5-10(9)15-3/h4-6H,7,14H2,1-3H3
InChIKeyTYYJZVYWNHQNNU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.93
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine

1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 83692070) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID83692070
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC1(C)C
InChIInChI=1S/C12H16ClNO/c1-11(2)7-12(11,14)9-6-8(13)4-5-10(9)15-3/h4-6H,7,14H2,1-3H3
InChIKeyTYYJZVYWNHQNNU-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83743390
2-(5-chloro-2-methoxyphenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009591
5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 82088842
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 83692070) is 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine is COc1ccc(Cl)cc1C1(N)CC1(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is TYYJZVYWNHQNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-11(2)7-12(11,14)9-6-8(13)4-5-10(9)15-3/h4-6H,7,14H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 83692070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).