1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine

C17H27NO — CID 65005245

IUPAC1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-4-9-16(10-5-2)12-17(18,13-16)14-7-6-8-15(11-14)19-3/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3
InChIKeyJWFVFXKCMYXCMV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

About 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine

1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine (PubChem CID 65005245) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
PubChem CID65005245
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-4-9-16(10-5-2)12-17(18,13-16)14-7-6-8-15(11-14)19-3/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3
InChIKeyJWFVFXKCMYXCMV-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005732
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine (CID 65005245) is 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine is CCCC1(CCC)CC(N)(c2cccc(OC)c2)C1.
What is the InChIKey of 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The InChIKey is JWFVFXKCMYXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-9-16(10-5-2)12-17(18,13-16)14-7-6-8-15(11-14)19-3/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine is sourced from PubChem (CID 65005245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).