N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine

C19H30BrN — CID 81032970

IUPACN-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1Cc1ccccc1Br
InChIInChI=1S/C19H30BrN/c1-19(2,3)21-14-17-11-6-4-5-9-15(17)13-16-10-7-8-12-18(16)20/h7-8,10,12,15,17,21H,4-6,9,11,13-14H2,1-3H3
InChIKeyFPKQDYKTFDJFKG-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.58
Rot. Bonds4

About N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 81032970) has the molecular formula C19H30BrN and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID81032970
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC NameN-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1Cc1ccccc1Br
InChIInChI=1S/C19H30BrN/c1-19(2,3)21-14-17-11-6-4-5-9-15(17)13-16-10-7-8-12-18(16)20/h7-8,10,12,15,17,21H,4-6,9,11,13-14H2,1-3H3
InChIKeyFPKQDYKTFDJFKG-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
CID 80997617
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine (CID 81032970) is N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCCC1Cc1ccccc1Br.
What is the InChIKey of N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FPKQDYKTFDJFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-19(2,3)21-14-17-11-6-4-5-9-15(17)13-16-10-7-8-12-18(16)20/h7-8,10,12,15,17,21H,4-6,9,11,13-14H2,1-3H3.
What are the key properties of N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 352.36 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81032970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).