N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine

C15H22BrN — CID 65080494

IUPACN-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
SMILESCc1ccc(NC2CCCC(C)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-11-4-3-5-13(8-6-11)17-14-9-7-12(2)15(16)10-14/h7,9-11,13,17H,3-6,8H2,1-2H3
InChIKeyDDVBUYWHXAXKGY-UHFFFAOYSA-N
MW296.25 g/mol
LogP5.14
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine

N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine (PubChem CID 65080494) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
PubChem CID65080494
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
SMILESCc1ccc(NC2CCCC(C)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-11-4-3-5-13(8-6-11)17-14-9-7-12(2)15(16)10-14/h7,9-11,13,17H,3-6,8H2,1-2H3
InChIKeyDDVBUYWHXAXKGY-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
4-methyl-N-(3-methyl-4-nitrophenyl)cycloheptan-1-amine
CID 65080487
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
N-(3-bromo-4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63332921
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine (CID 65080494) is N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine is Cc1ccc(NC2CCCC(C)CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine?
The InChIKey is DDVBUYWHXAXKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-4-3-5-13(8-6-11)17-14-9-7-12(2)15(16)10-14/h7,9-11,13,17H,3-6,8H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine?
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).