N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine

C18H28BrN — CID 81383486

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(C)(C)C)c1ccccc1Br
InChIInChI=1S/C18H28BrN/c1-13(14-9-5-7-11-16(14)19)20-17-12-8-6-10-15(17)18(2,3)4/h5,7,9,11,13,15,17,20H,6,8,10,12H2,1-4H3/t13-,15?,17?/m0/s1
InChIKeyJDHUOAXRSFYOAO-KTAKPFMOSA-N
MW338.33 g/mol
LogP5.70
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine

N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 81383486) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
PubChem CID81383486
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(C)(C)C)c1ccccc1Br
InChIInChI=1S/C18H28BrN/c1-13(14-9-5-7-11-16(14)19)20-17-12-8-6-10-15(17)18(2,3)4/h5,7,9,11,13,15,17,20H,6,8,10,12H2,1-4H3/t13-,15?,17?/m0/s1
InChIKeyJDHUOAXRSFYOAO-KTAKPFMOSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
CID 43673897
N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662665

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine (CID 81383486) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine is C[C@H](NC1CCCCC1C(C)(C)C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is JDHUOAXRSFYOAO-KTAKPFMOSA-N. The full InChI is InChI=1S/C18H28BrN/c1-13(14-9-5-7-11-16(14)19)20-17-12-8-6-10-15(17)18(2,3)4/h5,7,9,11,13,15,17,20H,6,8,10,12H2,1-4H3/t13-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.70, 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]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 81383486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).