3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine

C16H22ClN — CID 143001724

IUPAC3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine
SMILESC=C(C)c1cc(Cl)ccc1CC(C)CN/C=C\C
InChIInChI=1S/C16H22ClN/c1-5-8-18-11-13(4)9-14-6-7-15(17)10-16(14)12(2)3/h5-8,10,13,18H,2,9,11H2,1,3-4H3/b8-5-
InChIKeyLWFZRSLAMHXQBY-YVMONPNESA-N
MW263.81 g/mol
LogP4.67
Rot. Bonds6

About 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine

3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine (PubChem CID 143001724) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine
PubChem CID143001724
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine
SMILESC=C(C)c1cc(Cl)ccc1CC(C)CN/C=C\C
InChIInChI=1S/C16H22ClN/c1-5-8-18-11-13(4)9-14-6-7-15(17)10-16(14)12(2)3/h5-8,10,13,18H,2,9,11H2,1,3-4H3/b8-5-
InChIKeyLWFZRSLAMHXQBY-YVMONPNESA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine with MolForge

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Related Compounds

4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene
CID 135202683
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
CID 142816012
N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine
CID 142037195
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane
CID 145158396
N-[(1R)-2-[5-chloro-2-[2-[[(Z)-prop-1-enyl]amino]but-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
CID 143201091
N-[(2,4-dichlorophenyl)methyl]-N-(4-methylphenyl)-2-(2-methylprop-2-enyl)-N'-[(E)-prop-1-enyl]-2-prop-2-enylpropane-1,3-diamine
CID 142078790
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine?
The IUPAC name of 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine (CID 143001724) is 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine?
The canonical SMILES for 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine is C=C(C)c1cc(Cl)ccc1CC(C)CN/C=C\C.
What is the InChIKey of 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine?
The InChIKey is LWFZRSLAMHXQBY-YVMONPNESA-N. The full InChI is InChI=1S/C16H22ClN/c1-5-8-18-11-13(4)9-14-6-7-15(17)10-16(14)12(2)3/h5-8,10,13,18H,2,9,11H2,1,3-4H3/b8-5-.
What are the key properties of 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine?
3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine has a molecular weight of 263.81 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine is sourced from PubChem (CID 143001724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).