[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine

C14H22N2O — CID 116943373

IUPAC[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C)cc1C(N)C1(CN)CC1
InChIInChI=1S/C14H22N2O/c1-9-6-11(12(17-3)7-10(9)2)13(16)14(8-15)4-5-14/h6-7,13H,4-5,8,15-16H2,1-3H3
InChIKeyNYCVSTQSKINZCG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine (PubChem CID 116943373) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
PubChem CID116943373
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C)cc1C(N)C1(CN)CC1
InChIInChI=1S/C14H22N2O/c1-9-6-11(12(17-3)7-10(9)2)13(16)14(8-15)4-5-14/h6-7,13H,4-5,8,15-16H2,1-3H3
InChIKeyNYCVSTQSKINZCG-UHFFFAOYSA-N
XLogP2.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine (CID 116943373) is [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine is COc1cc(C)c(C)cc1C(N)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine?
The InChIKey is NYCVSTQSKINZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-11(12(17-3)7-10(9)2)13(16)14(8-15)4-5-14/h6-7,13H,4-5,8,15-16H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 116943373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).