(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine

C14H18BrN — CID 129387312

IUPAC(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCN(C)[C@H]1CC=C(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1
InChIKeyRMBOXFPJWMMIHB-AWEZNQCLSA-N
MW280.21 g/mol
LogP3.95
Rot. Bonds2

About (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine

(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 129387312) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID129387312
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCN(C)[C@H]1CC=C(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1
InChIKeyRMBOXFPJWMMIHB-AWEZNQCLSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 142398522
3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline
CID 58852362
4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)
CID 158921830
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-bromo-3-phenylbenzene;ethane
CID 163977967
(3S)-7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 125424444
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-(4-bromocyclohexa-1,5-dien-1-yl)benzene
CID 145256452
2-(3-bromophenyl)cyclohex-2-en-1-one
CID 130518078
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
N-[1-(3-bromophenyl)ethyl]-N-methylazepan-4-amine
CID 107172110

Frequently Asked Questions

What is the IUPAC name of (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine (CID 129387312) is (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine is CN(C)[C@H]1CC=C(c2cccc(Br)c2)CC1.
What is the InChIKey of (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is RMBOXFPJWMMIHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18BrN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine?
(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 280.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 129387312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).