N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide

C16H24BrN — CID 167864484

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
SMILESBr.CC(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N.BrH/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15;/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3;1H
InChIKeyMNMLWSQNMFTCII-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.81
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide (PubChem CID 167864484) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
PubChem CID167864484
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
SMILESBr.CC(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N.BrH/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15;/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3;1H
InChIKeyMNMLWSQNMFTCII-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-nitrophenyl)ethanamine
CID 43078363
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide (CID 167864484) is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide is Br.CC(NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide?
The InChIKey is MNMLWSQNMFTCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.BrH/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15;/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3;1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide?
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide has a molecular weight of 310.28 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide is sourced from PubChem (CID 167864484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).