1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine

C16H25BrN2 — CID 61444453

IUPAC1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-19(12-13-6-3-2-4-7-13)16(11-18)14-8-5-9-15(17)10-14/h5,8-10,13,16H,2-4,6-7,11-12,18H2,1H3
InChIKeyYOMAORGTOFGWEY-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.96
Rot. Bonds5

About 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine

1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine (PubChem CID 61444453) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
PubChem CID61444453
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-19(12-13-6-3-2-4-7-13)16(11-18)14-8-5-9-15(17)10-14/h5,8-10,13,16H,2-4,6-7,11-12,18H2,1H3
InChIKeyYOMAORGTOFGWEY-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
1-(3-bromo-4-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444308
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631647
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61444758
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine (CID 61444453) is 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine is CN(CC1CCCCC1)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is YOMAORGTOFGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-19(12-13-6-3-2-4-7-13)16(11-18)14-8-5-9-15(17)10-14/h5,8-10,13,16H,2-4,6-7,11-12,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine?
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 325.29 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61444453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).