[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine

C14H22N2O3 — CID 116943456

IUPAC[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2(CN)CC2)cc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-10-6-9(7-11(18-2)12(10)19-3)13(16)14(8-15)4-5-14/h6-7,13H,4-5,8,15-16H2,1-3H3
InChIKeyVFWZPSYQNINALZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds6

About [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 116943456) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID116943456
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2(CN)CC2)cc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-10-6-9(7-11(18-2)12(10)19-3)13(16)14(8-15)4-5-14/h6-7,13H,4-5,8,15-16H2,1-3H3
InChIKeyVFWZPSYQNINALZ-UHFFFAOYSA-N
XLogP1.45
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 28701279
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 95452478
[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116943909

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine (CID 116943456) is [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)C2(CN)CC2)cc(OC)c1OC.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is VFWZPSYQNINALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-10-6-9(7-11(18-2)12(10)19-3)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]-(3,4,5-trimethoxyphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 116943456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).