(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine

C13H18ClN — CID 115034283

IUPAC(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
SMILESCC(C)(C)/C(=C/CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-8H,9,15H2,1-3H3/b12-8+
InChIKeyAGYJVOYWIUJWCV-XYOKQWHBSA-N
MW223.75 g/mol
LogP3.73
Rot. Bonds2

About (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine

(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine (PubChem CID 115034283) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
PubChem CID115034283
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
SMILESCC(C)(C)/C(=C/CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-8H,9,15H2,1-3H3/b12-8+
InChIKeyAGYJVOYWIUJWCV-XYOKQWHBSA-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

4-(4-chlorophenyl)hex-3-en-1-amine
CID 76997304
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CID 115029863
(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
CID 115041180
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
ethyl (E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoate
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(Z)-5-(4-chlorophenyl)-2-methylhept-5-en-2-ol
CID 70399727
1-(4-chlorophenyl)-2,2,4-trimethylpentane-1,3-dione
CID 15903801
1-chloro-4-(2,2-dimethyl-1-sulfinylpropyl)benzene
CID 13050046
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
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(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240
4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
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(E)-4-(4-chlorophenyl)pent-3-en-1-ol
CID 11995606

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine?
The IUPAC name of (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine (CID 115034283) is (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine is CC(C)(C)/C(=C/CN)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine?
The InChIKey is AGYJVOYWIUJWCV-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-8H,9,15H2,1-3H3/b12-8+.
What are the key properties of (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine?
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-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 (Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine is sourced from PubChem (CID 115034283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).