3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine

C14H19NO2 — CID 82389982

IUPAC3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine
SMILESCOc1ccc(C2(N)CC3CC3C2)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-16-11-3-4-12(13(6-11)17-2)14(15)7-9-5-10(9)8-14/h3-4,6,9-10H,5,7-8,15H2,1-2H3
InChIKeyZVPSMQRSACXAQH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine

3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 82389982) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine
PubChem CID82389982
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine
SMILESCOc1ccc(C2(N)CC3CC3C2)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-16-11-3-4-12(13(6-11)17-2)14(15)7-9-5-10(9)8-14/h3-4,6,9-10H,5,7-8,15H2,1-2H3
InChIKeyZVPSMQRSACXAQH-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxyphenyl)cyclohexan-1-amine
CID 24273705
(1S)-1-(2,4-dimethoxyphenyl)ethan-1-amine
CID 40465646
(1R)-1-(2,4-dimethoxyphenyl)ethan-1-amine
CID 40465648
4-[1-Amino-2-(4-methoxyphenyl)ethyl]benzene-1,3-diol
CID 42631727
2-[(2,4-Dimethoxyphenyl)methyl]indan-1-amine
CID 46230976
[2-(2,4-Dimethoxyphenyl)phenyl]methanamine
CID 56828819
2,4-Dimethoxy-alpha-phenylbenzenemethanamine
CID 129720
(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanamine
CID 22952203
(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride
CID 54592740
1-(3,5-Dimethoxyphenyl)cyclopropanamine
CID 55264654
(1S)-1-(2,4-dimethoxyphenyl)ethan-1-amine hydrochloride
CID 132283230
(1R)-1-(2,4-Dimethoxyphenyl)ethan-1-amine HCl
CID 171201079

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine (CID 82389982) is 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine is COc1ccc(C2(N)CC3CC3C2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is ZVPSMQRSACXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-11-3-4-12(13(6-11)17-2)14(15)7-9-5-10(9)8-14/h3-4,6,9-10H,5,7-8,15H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine?
3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 82389982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).