(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine

C13H18ClN — CID 115034284

IUPAC(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)/C(=C/c1cccc(Cl)c1)CN
InChIInChI=1S/C13H18ClN/c1-13(2,3)11(9-15)7-10-5-4-6-12(14)8-10/h4-8H,9,15H2,1-3H3/b11-7+
InChIKeyHAJKAZXAXQJIJX-YRNVUSSQSA-N
MW223.75 g/mol
LogP3.73
Rot. Bonds2

About (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine

(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine (PubChem CID 115034284) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine
PubChem CID115034284
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)/C(=C/c1cccc(Cl)c1)CN
InChIInChI=1S/C13H18ClN/c1-13(2,3)11(9-15)7-10-5-4-6-12(14)8-10/h4-8H,9,15H2,1-3H3/b11-7+
InChIKeyHAJKAZXAXQJIJX-YRNVUSSQSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol
CID 115024743
1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
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(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
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3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342
2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
CID 18763102
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
ethyl (Z)-2-(bromomethyl)-3-(3-chlorophenyl)prop-2-enoate
CID 14812496
4-(3-chlorophenyl)-3-ethoxycarbonylbut-3-enoic acid
CID 139765791
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 158437299
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine (CID 115034284) is (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The canonical SMILES for (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine is CC(C)(C)/C(=C/c1cccc(Cl)c1)CN.
What is the InChIKey of (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The InChIKey is HAJKAZXAXQJIJX-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2,3)11(9-15)7-10-5-4-6-12(14)8-10/h4-8H,9,15H2,1-3H3/b11-7+.
What are the key properties of (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115034284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).