N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

C18H28BrN — CID 63507661

IUPACN-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C18H28BrN/c1-17(2,3)20-14-18(10-5-4-6-11-18)13-15-8-7-9-16(19)12-15/h7-9,12,20H,4-6,10-11,13-14H2,1-3H3
InChIKeyHVTDXXDFLOIPJP-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.33
Rot. Bonds4

About N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 63507661) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID63507661
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C18H28BrN/c1-17(2,3)20-14-18(10-5-4-6-11-18)13-15-8-7-9-16(19)12-15/h7-9,12,20H,4-6,10-11,13-14H2,1-3H3
InChIKeyHVTDXXDFLOIPJP-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104810728
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
N-[[1-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63508363
N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534984
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (CID 63507661) is N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cccc(Br)c2)CCCCC1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HVTDXXDFLOIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-17(2,3)20-14-18(10-5-4-6-11-18)13-15-8-7-9-16(19)12-15/h7-9,12,20H,4-6,10-11,13-14H2,1-3H3.
What are the key properties of N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 338.33 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63507661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).