N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

C18H28BrN — CID 82932989

IUPACN-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C18H28BrN/c1-14(2)12-20-13-17(16-7-3-4-8-16)10-15-6-5-9-18(19)11-15/h5-6,9,11,14,16-17,20H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyGFWRQGNUHLDGRY-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.04
Rot. Bonds7

About N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (PubChem CID 82932989) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
PubChem CID82932989
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C18H28BrN/c1-14(2)12-20-13-17(16-7-3-4-8-16)10-15-6-5-9-18(19)11-15/h5-6,9,11,14,16-17,20H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyGFWRQGNUHLDGRY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (CID 82932989) is N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The InChIKey is GFWRQGNUHLDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-14(2)12-20-13-17(16-7-3-4-8-16)10-15-6-5-9-18(19)11-15/h5-6,9,11,14,16-17,20H,3-4,7-8,10,12-13H2,1-2H3.
What are the key properties of N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82932989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).