1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine

C17H27BrN2 — CID 63406064

IUPAC1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCC1CCC(N(C)C(c2ccc(Br)cc2)C(C)N)CC1
InChIInChI=1S/C17H27BrN2/c1-12-4-10-16(11-5-12)20(3)17(13(2)19)14-6-8-15(18)9-7-14/h6-9,12-13,16-17H,4-5,10-11,19H2,1-3H3
InChIKeyIVANRNUFBAYYKU-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine

1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine (PubChem CID 63406064) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
PubChem CID63406064
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCC1CCC(N(C)C(c2ccc(Br)cc2)C(C)N)CC1
InChIInChI=1S/C17H27BrN2/c1-12-4-10-16(11-5-12)20(3)17(13(2)19)14-6-8-15(18)9-7-14/h6-9,12-13,16-17H,4-5,10-11,19H2,1-3H3
InChIKeyIVANRNUFBAYYKU-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(3-bromophenyl)-1-N-methyl-1-N-(thiolan-3-yl)propane-1,2-diamine
CID 55019864
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine (CID 63406064) is 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine is CC1CCC(N(C)C(c2ccc(Br)cc2)C(C)N)CC1.
What is the InChIKey of 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The InChIKey is IVANRNUFBAYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-12-4-10-16(11-5-12)20(3)17(13(2)19)14-6-8-15(18)9-7-14/h6-9,12-13,16-17H,4-5,10-11,19H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 63406064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).