N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine

C15H22BrN — CID 29266972

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-12(14-10-6-7-11-15(14)16)17-13-8-4-2-3-5-9-13/h6-7,10-13,17H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyGSSGOFKEJMTOLW-LBPRGKRZSA-N
MW296.25 g/mol
LogP4.82
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine

N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine (PubChem CID 29266972) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
PubChem CID29266972
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-12(14-10-6-7-11-15(14)16)17-13-8-4-2-3-5-9-13/h6-7,10-13,17H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyGSSGOFKEJMTOLW-LBPRGKRZSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine (CID 29266972) is N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine is C[C@H](NC1CCCCCC1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine?
The InChIKey is GSSGOFKEJMTOLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(14-10-6-7-11-15(14)16)17-13-8-4-2-3-5-9-13/h6-7,10-13,17H,2-5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine?
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine has a molecular weight of 296.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine is sourced from PubChem (CID 29266972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).