2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine

C18H30N2O — CID 63272832

IUPAC2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)(CN)N2CCCCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(15-19,20-12-6-4-3-5-7-13-20)14-16-8-10-17(21-2)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKeyDPPGELDJJGJWDU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds5

About 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine

2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 63272832) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID63272832
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)(CN)N2CCCCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(15-19,20-12-6-4-3-5-7-13-20)14-16-8-10-17(21-2)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKeyDPPGELDJJGJWDU-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 60709995
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 60973738
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine (CID 63272832) is 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine is COc1ccc(CC(C)(CN)N2CCCCCCC2)cc1.
What is the InChIKey of 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is DPPGELDJJGJWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(15-19,20-12-6-4-3-5-7-13-20)14-16-8-10-17(21-2)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine?
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 63272832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).