N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine

C18H28BrN — CID 107572198

IUPACN-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cc(C)c(Br)c(C)c2)CC1
InChIInChI=1S/C18H28BrN/c1-4-6-15-7-5-8-16(10-9-15)20-17-11-13(2)18(19)14(3)12-17/h11-12,15-16,20H,4-10H2,1-3H3
InChIKeyGAHLSFFOKFYHGN-UHFFFAOYSA-N
MW338.33 g/mol
LogP6.23
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine

N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine (PubChem CID 107572198) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
PubChem CID107572198
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cc(C)c(Br)c(C)c2)CC1
InChIInChI=1S/C18H28BrN/c1-4-6-15-7-5-8-16(10-9-15)20-17-11-13(2)18(19)14(3)12-17/h11-12,15-16,20H,4-10H2,1-3H3
InChIKeyGAHLSFFOKFYHGN-UHFFFAOYSA-N
XLogP6.23
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 ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
CID 106954139
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65485314
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine (CID 107572198) is N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(Nc2cc(C)c(Br)c(C)c2)CC1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The InChIKey is GAHLSFFOKFYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-6-15-7-5-8-16(10-9-15)20-17-11-13(2)18(19)14(3)12-17/h11-12,15-16,20H,4-10H2,1-3H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 107572198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).