(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine

C13H18ClN — CID 14924550

IUPAC(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
SMILESCC(CC/C=C/c1ccccc1)N(C)Cl
InChIInChI=1S/C13H18ClN/c1-12(15(2)14)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-12H,6,8H2,1-2H3/b11-7+
InChIKeyWXXSPBRVPAYXGA-YRNVUSSQSA-N
MW223.75 g/mol
LogP3.95
Rot. Bonds5

About (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine

(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine (PubChem CID 14924550) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine.

Molecular Properties

Compound Name(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
PubChem CID14924550
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
SMILESCC(CC/C=C/c1ccccc1)N(C)Cl
InChIInChI=1S/C13H18ClN/c1-12(15(2)14)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-12H,6,8H2,1-2H3/b11-7+
InChIKeyWXXSPBRVPAYXGA-YRNVUSSQSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5,5-diethoxypent-1-enyl]benzene
CID 21423476
[(E,5R)-5-butylsulfanylhex-1-enyl]benzene
CID 102577338
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
4-chloropent-1-enylbenzene
CID 66808272
benzene;but-1-enylbenzene
CID 157481332
6-chlorododec-1-enylbenzene
CID 150262306
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-N-ethyl-5-phenyl-N-(1-phenylethyl)pent-4-enamide
CID 66486378
[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
CID 95240086
triethyl(4-phenylbut-3-enyl)silane
CID 85256276

Frequently Asked Questions

What is the IUPAC name of (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine?
The IUPAC name of (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine (CID 14924550) is (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine.
What is the SMILES notation for (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine?
The canonical SMILES for (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine is CC(CC/C=C/c1ccccc1)N(C)Cl.
What is the InChIKey of (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine?
The InChIKey is WXXSPBRVPAYXGA-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H18ClN/c1-12(15(2)14)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-12H,6,8H2,1-2H3/b11-7+.
What are the key properties of (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine?
(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine is sourced from PubChem (CID 14924550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).