N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

C16H25BrN2 — CID 43749141

IUPACN-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-13(12-19-9-4-3-5-10-19)18-14(2)15-7-6-8-16(17)11-15/h6-8,11,13-14,18H,3-5,9-10,12H2,1-2H3
InChIKeyIAFYOYPZFIWOMJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749141) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749141
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-13(12-19-9-4-3-5-10-19)18-14(2)15-7-6-8-16(17)11-15/h6-8,11,13-14,18H,3-5,9-10,12H2,1-2H3
InChIKeyIAFYOYPZFIWOMJ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749141) is N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is IAFYOYPZFIWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(12-19-9-4-3-5-10-19)18-14(2)15-7-6-8-16(17)11-15/h6-8,11,13-14,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).