(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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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).