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

C17H26BrN — CID 81024241

IUPACN-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-13(2)19-12-16-9-4-3-7-14(16)11-15-8-5-6-10-17(15)18/h5-6,8,10,13-14,16,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyCTDRASKMNAWTFR-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.80
Rot. Bonds5

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

N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 81024241) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID81024241
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-13(2)19-12-16-9-4-3-7-14(16)11-15-8-5-6-10-17(15)18/h5-6,8,10,13-14,16,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyCTDRASKMNAWTFR-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 81024241) is N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1Cc1ccccc1Br.
What is the InChIKey of N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is CTDRASKMNAWTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13(2)19-12-16-9-4-3-7-14(16)11-15-8-5-6-10-17(15)18/h5-6,8,10,13-14,16,19H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 324.31 g/mol, XLogP of 4.80, 5 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]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).