(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C14H21ClN2O — CID 116943544

IUPAC(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2cc(Cl)c(OC)cc2C)CC1
InChIInChI=1S/C14H21ClN2O/c1-9-6-12(18-3)11(15)7-10(9)13(16)14(4-5-14)8-17-2/h6-7,13,17H,4-5,8,16H2,1-3H3
InChIKeyLZEXYGCSWIZQEO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds5

About (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943544) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943544
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2cc(Cl)c(OC)cc2C)CC1
InChIInChI=1S/C14H21ClN2O/c1-9-6-12(18-3)11(15)7-10(9)13(16)14(4-5-14)8-17-2/h6-7,13,17H,4-5,8,16H2,1-3H3
InChIKeyLZEXYGCSWIZQEO-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
CID 116857246
1-[(5-chloro-4-methoxy-2-methylphenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 116914136
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943544) is (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(N)c2cc(Cl)c(OC)cc2C)CC1.
What is the InChIKey of (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is LZEXYGCSWIZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-6-12(18-3)11(15)7-10(9)13(16)14(4-5-14)8-17-2/h6-7,13,17H,4-5,8,16H2,1-3H3.
What are the key properties of (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).