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

C16H24BrN — CID 63512430

IUPACN-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Br)CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)18-12-16(10-6-3-7-11-16)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyDGSSJDBHUVCDBK-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.65
Rot. Bonds4

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

N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 63512430) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID63512430
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Br)CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)18-12-16(10-6-3-7-11-16)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyDGSSJDBHUVCDBK-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Bromophenyl)propan-2-amine
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US9670136, 26 N1-((trans)-2-(4-bromophenyl)cyclopropyl)cyclohexane-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine (CID 63512430) is N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(c2ccccc2Br)CCCCC1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is DGSSJDBHUVCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(2)18-12-16(10-6-3-7-11-16)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63512430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).