2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine

C15H23BrN2 — CID 20556386

IUPAC2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine
SMILESCN(C)C1CCCCCC1Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-18(2)15-7-5-3-4-6-14(15)17-13-10-8-12(16)9-11-13/h8-11,14-15,17H,3-7H2,1-2H3
InChIKeyWFURWZACXGSYMO-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.12
Rot. Bonds3

About 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine

2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine (PubChem CID 20556386) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine
PubChem CID20556386
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine
SMILESCN(C)C1CCCCCC1Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-18(2)15-7-5-3-4-6-14(15)17-13-10-8-12(16)9-11-13/h8-11,14-15,17H,3-7H2,1-2H3
InChIKeyWFURWZACXGSYMO-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
trans-(1R,2R)-2-N-(3-bromophenyl)-2-N-methyl-1-N-phenylcyclohexane-1,2-diamine
CID 134926263
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
3-[[2-(dimethylamino)cyclohexyl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 146156916
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine (CID 20556386) is 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine is CN(C)C1CCCCCC1Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine?
The InChIKey is WFURWZACXGSYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(2)15-7-5-3-4-6-14(15)17-13-10-8-12(16)9-11-13/h8-11,14-15,17H,3-7H2,1-2H3.
What are the key properties of 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine?
2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine has a molecular weight of 311.27 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine is sourced from PubChem (CID 20556386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).