N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine

C18H28BrN — CID 81292475

IUPACN-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCc1cc(Br)ccc1NC1CCCC(C(C)C)CC1
InChIInChI=1S/C18H28BrN/c1-4-14-12-16(19)9-11-18(14)20-17-7-5-6-15(8-10-17)13(2)3/h9,11-13,15,17,20H,4-8,10H2,1-3H3
InChIKeyAJJGOJMPRFDNGQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP6.03
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine

N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 81292475) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID81292475
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCc1cc(Br)ccc1NC1CCCC(C(C)C)CC1
InChIInChI=1S/C18H28BrN/c1-4-14-12-16(19)9-11-18(14)20-17-7-5-6-15(8-10-17)13(2)3/h9,11-13,15,17,20H,4-8,10H2,1-3H3
InChIKeyAJJGOJMPRFDNGQ-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 56.03
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-ethylcycloheptan-1-amine
CID 81292619
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 81291729
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-(4-bromo-2-ethylphenyl)-1,1-dioxothiolan-3-amine
CID 81292372
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
CID 113259602
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 81292475) is N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine is CCc1cc(Br)ccc1NC1CCCC(C(C)C)CC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is AJJGOJMPRFDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-14-12-16(19)9-11-18(14)20-17-7-5-6-15(8-10-17)13(2)3/h9,11-13,15,17,20H,4-8,10H2,1-3H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 6.03, 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-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 81292475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).