1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine

C16H24BrN — CID 105027806

IUPAC1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)C1CCCCCC1
InChIInChI=1S/C16H24BrN/c1-12-11-14(9-10-15(12)17)16(18-2)13-7-5-3-4-6-8-13/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyUQVRKMRHKVCNLK-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 105027806) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID105027806
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)C1CCCCCC1
InChIInChI=1S/C16H24BrN/c1-12-11-14(9-10-15(12)17)16(18-2)13-7-5-3-4-6-8-13/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyUQVRKMRHKVCNLK-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine (CID 105027806) is 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)C1CCCCCC1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is UQVRKMRHKVCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-11-14(9-10-15(12)17)16(18-2)13-7-5-3-4-6-8-13/h9-11,13,16,18H,3-8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 105027806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).