1-(azocan-1-yl)-4-phenylbutan-2-amine

C17H28N2 — CID 114929504

IUPAC1-(azocan-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCCCCC1
InChIInChI=1S/C17H28N2/c18-17(12-11-16-9-5-4-6-10-16)15-19-13-7-2-1-3-8-14-19/h4-6,9-10,17H,1-3,7-8,11-15,18H2
InChIKeyVEJAYFZXKWWYMJ-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.21
Rot. Bonds5

About 1-(azocan-1-yl)-4-phenylbutan-2-amine

1-(azocan-1-yl)-4-phenylbutan-2-amine (PubChem CID 114929504) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(azocan-1-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(azocan-1-yl)-4-phenylbutan-2-amine
PubChem CID114929504
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(azocan-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCCCCC1
InChIInChI=1S/C17H28N2/c18-17(12-11-16-9-5-4-6-10-16)15-19-13-7-2-1-3-8-14-19/h4-6,9-10,17H,1-3,7-8,11-15,18H2
InChIKeyVEJAYFZXKWWYMJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929545
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929496
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(azocan-1-yl)-4-phenylbutan-2-amine (CID 114929504) is 1-(azocan-1-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(azocan-1-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(azocan-1-yl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)CN1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-4-phenylbutan-2-amine?
The InChIKey is VEJAYFZXKWWYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c18-17(12-11-16-9-5-4-6-10-16)15-19-13-7-2-1-3-8-14-19/h4-6,9-10,17H,1-3,7-8,11-15,18H2.
What are the key properties of 1-(azocan-1-yl)-4-phenylbutan-2-amine?
1-(azocan-1-yl)-4-phenylbutan-2-amine has a molecular weight of 260.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114929504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).