(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine

C18H26ClN — CID 106819285

IUPAC(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
SMILESCCNC/C(=C/c1ccc(C)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H26ClN/c1-3-20-13-17(16-7-5-4-6-8-16)11-15-10-9-14(2)18(19)12-15/h9-12,16,20H,3-8,13H2,1-2H3/b17-11-
InChIKeyNWQWNJWCCXRAMJ-BOPFTXTBSA-N
MW291.87 g/mol
LogP5.22
Rot. Bonds5

About (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine

(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine (PubChem CID 106819285) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
PubChem CID106819285
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
SMILESCCNC/C(=C/c1ccc(C)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H26ClN/c1-3-20-13-17(16-7-5-4-6-8-16)11-15-10-9-14(2)18(19)12-15/h9-12,16,20H,3-8,13H2,1-2H3/b17-11-
InChIKeyNWQWNJWCCXRAMJ-BOPFTXTBSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
CID 114455135
(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530312
2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 104939533
3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea
CID 7972663
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 81155944
1-bromo-4-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-2-fluorobenzene
CID 81440421
3-(3-chloro-4-methylphenyl)-2-(propanoylamino)prop-2-enoic acid
CID 67302297
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
3-(3-chloro-4-methylphenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77050308
5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine
CID 104824072

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine (CID 106819285) is (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine is CCNC/C(=C/c1ccc(C)c(Cl)c1)C1CCCCC1.
What is the InChIKey of (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The InChIKey is NWQWNJWCCXRAMJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H26ClN/c1-3-20-13-17(16-7-5-4-6-8-16)11-15-10-9-14(2)18(19)12-15/h9-12,16,20H,3-8,13H2,1-2H3/b17-11-.
What are the key properties of (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine has a molecular weight of 291.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 106819285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).