1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine

C12H17ClN2O — CID 116935148

IUPAC1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
SMILESCOc1ccc(Cl)cc1C(N)CNC1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-12-5-2-8(13)6-10(12)11(14)7-15-9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3
InChIKeyYWKXADAQZYYGMO-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.10
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine

1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine (PubChem CID 116935148) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
PubChem CID116935148
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
SMILESCOc1ccc(Cl)cc1C(N)CNC1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-12-5-2-8(13)6-10(12)11(14)7-15-9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3
InChIKeyYWKXADAQZYYGMO-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
CID 116935201
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine (CID 116935148) is 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine is COc1ccc(Cl)cc1C(N)CNC1CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine?
The InChIKey is YWKXADAQZYYGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-12-5-2-8(13)6-10(12)11(14)7-15-9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine?
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine has a molecular weight of 240.73 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 116935148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).