1-(3-bromophenyl)-3-cycloheptylpropan-2-amine

C16H24BrN — CID 114458146

IUPAC1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
SMILESNC(Cc1cccc(Br)c1)CC1CCCCCC1
InChIInChI=1S/C16H24BrN/c17-15-9-5-8-14(10-15)12-16(18)11-13-6-3-1-2-4-7-13/h5,8-10,13,16H,1-4,6-7,11-12,18H2
InChIKeyPUKWIRJVHWZGPH-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.68
Rot. Bonds4

About 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine

1-(3-bromophenyl)-3-cycloheptylpropan-2-amine (PubChem CID 114458146) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
PubChem CID114458146
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
SMILESNC(Cc1cccc(Br)c1)CC1CCCCCC1
InChIInChI=1S/C16H24BrN/c17-15-9-5-8-14(10-15)12-16(18)11-13-6-3-1-2-4-7-13/h5,8-10,13,16H,1-4,6-7,11-12,18H2
InChIKeyPUKWIRJVHWZGPH-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-(thian-4-yl)propan-2-amine
CID 105089697
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
CID 106931250
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 82307455
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine (CID 114458146) is 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine is NC(Cc1cccc(Br)c1)CC1CCCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine?
The InChIKey is PUKWIRJVHWZGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c17-15-9-5-8-14(10-15)12-16(18)11-13-6-3-1-2-4-7-13/h5,8-10,13,16H,1-4,6-7,11-12,18H2.
What are the key properties of 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine?
1-(3-bromophenyl)-3-cycloheptylpropan-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-cycloheptylpropan-2-amine is sourced from PubChem (CID 114458146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).