N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine

C14H21ClN2O — CID 115206873

IUPACN'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCOc1c(C)cc(Cl)cc1N(C)CCNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-10-8-11(15)9-13(14(10)18-3)17(2)7-6-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyAHORYGZRLHJBGH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.85
Rot. Bonds6

About N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 115206873) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID115206873
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCOc1c(C)cc(Cl)cc1N(C)CCNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-10-8-11(15)9-13(14(10)18-3)17(2)7-6-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyAHORYGZRLHJBGH-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

2-(5-chloro-2-methoxy-N,3-dimethylanilino)ethanethiol
CID 115223816
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
CID 115216751
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 115206873) is N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine is COc1c(C)cc(Cl)cc1N(C)CCNC1CC1.
What is the InChIKey of N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is AHORYGZRLHJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-8-11(15)9-13(14(10)18-3)17(2)7-6-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115206873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).