N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine

C17H26BrN — CID 81292619

IUPACN-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCc1cc(Br)ccc1NC1CCCC(CC)CC1
InChIInChI=1S/C17H26BrN/c1-3-13-6-5-7-16(10-8-13)19-17-11-9-15(18)12-14(17)4-2/h9,11-13,16,19H,3-8,10H2,1-2H3
InChIKeyRMZPWYAJLTYMDJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.78
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine

N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine (PubChem CID 81292619) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
PubChem CID81292619
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCc1cc(Br)ccc1NC1CCCC(CC)CC1
InChIInChI=1S/C17H26BrN/c1-3-13-6-5-7-16(10-8-13)19-17-11-9-15(18)12-14(17)4-2/h9,11-13,16,19H,3-8,10H2,1-2H3
InChIKeyRMZPWYAJLTYMDJ-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 81292475
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
N-(4-bromo-2-ethylphenyl)-1,1-dioxothiolan-3-amine
CID 81292372
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
CID 113259602
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490
2,5-dibromo-N-(3-ethylcyclopentyl)aniline
CID 64501925

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine (CID 81292619) is N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine is CCc1cc(Br)ccc1NC1CCCC(CC)CC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine?
The InChIKey is RMZPWYAJLTYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-13-6-5-7-16(10-8-13)19-17-11-9-15(18)12-14(17)4-2/h9,11-13,16,19H,3-8,10H2,1-2H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine?
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 81292619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).