N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine

C17H26BrN — CID 81383002

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1
InChIKeyIQYXQNINPYVYFS-WLYUNCDWSA-N
MW324.31 g/mol
LogP5.46
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine (PubChem CID 81383002) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
PubChem CID81383002
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1
InChIKeyIQYXQNINPYVYFS-WLYUNCDWSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine (CID 81383002) is N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(N[C@H](C)c2ccccc2Br)CC1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The InChIKey is IQYXQNINPYVYFS-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 81383002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).