N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C19H30BrN — CID 81035109

IUPACN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H30BrN/c1-14-8-9-16(13-21-19(2,3)4)17(10-14)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,21H,8-11,13H2,1-4H3
InChIKeySDINZZUXZSQDSN-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.43
Rot. Bonds4

About N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81035109) has the molecular formula C19H30BrN and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81035109
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC NameN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H30BrN/c1-14-8-9-16(13-21-19(2,3)4)17(10-14)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,21H,8-11,13H2,1-4H3
InChIKeySDINZZUXZSQDSN-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
CID 64910118
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454
N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032369

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81035109) is N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CC1CCC(CNC(C)(C)C)C(Cc2cccc(Br)c2)C1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SDINZZUXZSQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-14-8-9-16(13-21-19(2,3)4)17(10-14)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,21H,8-11,13H2,1-4H3.
What are the key properties of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 352.36 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).