3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine

C19H32N2 — CID 62262873

IUPAC3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
SMILESCCNCC(C)(CN1CCCCCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-20-16-19(2,18-12-8-7-9-13-18)17-21-14-10-5-4-6-11-15-21/h7-9,12-13,20H,3-6,10-11,14-17H2,1-2H3
InChIKeyKUADCDWJUNPDGR-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.82
Rot. Bonds6

About 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine

3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine (PubChem CID 62262873) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
PubChem CID62262873
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
SMILESCCNCC(C)(CN1CCCCCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-20-16-19(2,18-12-8-7-9-13-18)17-21-14-10-5-4-6-11-15-21/h7-9,12-13,20H,3-6,10-11,14-17H2,1-2H3
InChIKeyKUADCDWJUNPDGR-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-2-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62271130
N-ethyl-3-(3-ethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62258575
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]piperidin-2-yl]methanol
CID 62260867
2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
CID 62263166
2-methyl-2-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62261570
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]pyrrolidin-2-yl]methanol
CID 62259805
N,2-dimethyl-2-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 55056359
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65282057
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62261469

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine (CID 62262873) is 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine is CCNCC(C)(CN1CCCCCCC1)c1ccccc1.
What is the InChIKey of 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine?
The InChIKey is KUADCDWJUNPDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-20-16-19(2,18-12-8-7-9-13-18)17-21-14-10-5-4-6-11-15-21/h7-9,12-13,20H,3-6,10-11,14-17H2,1-2H3.
What are the key properties of 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine?
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 62262873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).