1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine

C17H27NO — CID 65005732

IUPAC1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-10-16(11-5-2)12-17(18,13-16)14-6-8-15(19-3)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyTZZJRGMQQGROKA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine

1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine (PubChem CID 65005732) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
PubChem CID65005732
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-10-16(11-5-2)12-17(18,13-16)14-6-8-15(19-3)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyTZZJRGMQQGROKA-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

3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 146623806
4-(4-methoxyphenyl)-2,2-dimethyl-4-propyloxane
CID 123921780
[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 55148646
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine (CID 65005732) is 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine is CCCC1(CCC)CC(N)(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
The InChIKey is TZZJRGMQQGROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-16(11-5-2)12-17(18,13-16)14-6-8-15(19-3)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine?
1-(4-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-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine is sourced from PubChem (CID 65005732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).