2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine

C18H28BrN — CID 83973803

IUPAC2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
SMILESCC(C)(C)C1CCC(C(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrN/c1-18(2,3)15-8-4-13(5-9-15)17(12-20)14-6-10-16(19)11-7-14/h6-7,10-11,13,15,17H,4-5,8-9,12,20H2,1-3H3
InChIKeyLXSXCKZWOJOLAP-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.34
Rot. Bonds3

About 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine

2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine (PubChem CID 83973803) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
PubChem CID83973803
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
SMILESCC(C)(C)C1CCC(C(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrN/c1-18(2,3)15-8-4-13(5-9-15)17(12-20)14-6-10-16(19)11-7-14/h6-7,10-11,13,15,17H,4-5,8-9,12,20H2,1-3H3
InChIKeyLXSXCKZWOJOLAP-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
p-Bromophenethylamine
CID 533915
rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
2-(4-Bromophenyl)-2-phenylethanamine
CID 25139019
4-(4-Bromophenyl)bicyclo[2.2.2]octan-1-amine
CID 44298871
C-(2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-methylamine
CID 10063462
1-[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44573001
cis-(1S,2R)-2-(4-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 118730224
cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
CID 118730240
(1R,2S)-2-(4-Bromophenyl)cyclopropan-1-amine
CID 36217788
(1S,2R)-2-(4-Bromophenyl)cyclopropan-1-amine
CID 39243042

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine (CID 83973803) is 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine is CC(C)(C)C1CCC(C(CN)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine?
The InChIKey is LXSXCKZWOJOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-18(2,3)15-8-4-13(5-9-15)17(12-20)14-6-10-16(19)11-7-14/h6-7,10-11,13,15,17H,4-5,8-9,12,20H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine?
2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine has a molecular weight of 338.33 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine is sourced from PubChem (CID 83973803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).