3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine

C16H25BrN2 — CID 55098260

IUPAC3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
SMILESNC(CCN1CCCCCCC1)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c17-15-9-5-4-8-14(15)16(18)10-13-19-11-6-2-1-3-7-12-19/h4-5,8-9,16H,1-3,6-7,10-13,18H2
InChIKeyRKBHCCVZTPMSTA-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.11
Rot. Bonds4

About 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine

3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine (PubChem CID 55098260) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
PubChem CID55098260
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
SMILESNC(CCN1CCCCCCC1)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c17-15-9-5-4-8-14(15)16(18)10-13-19-11-6-2-1-3-7-12-19/h4-5,8-9,16H,1-3,6-7,10-13,18H2
InChIKeyRKBHCCVZTPMSTA-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-morpholin-4-ylpropan-1-amine
CID 55098547
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
CID 62625582
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 63151606
1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
CID 106837828
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 79917237
1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(2-bromophenyl)-3-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-amine
CID 107459371
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
CID 55098553
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586
1-(2-bromophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-amine
CID 62625394

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine?
The IUPAC name of 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine (CID 55098260) is 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine is NC(CCN1CCCCCCC1)c1ccccc1Br.
What is the InChIKey of 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine?
The InChIKey is RKBHCCVZTPMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c17-15-9-5-4-8-14(15)16(18)10-13-19-11-6-2-1-3-7-12-19/h4-5,8-9,16H,1-3,6-7,10-13,18H2.
What are the key properties of 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine?
3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine is sourced from PubChem (CID 55098260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).