(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine

C14H21N — CID 103091821

IUPAC(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine
SMILESC/C(=C/c1ccc(C(C)C)cc1)C(C)N
InChIInChI=1S/C14H21N/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-10,12H,15H2,1-4H3/b11-9-
InChIKeyUEKFKCNHAZOFAD-LUAWRHEFSA-N
MW203.33 g/mol
LogP3.56
Rot. Bonds3

About (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine

(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine (PubChem CID 103091821) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine
PubChem CID103091821
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine
SMILESC/C(=C/c1ccc(C(C)C)cc1)C(C)N
InChIInChI=1S/C14H21N/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-10,12H,15H2,1-4H3/b11-9-
InChIKeyUEKFKCNHAZOFAD-LUAWRHEFSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine
CID 103091933
(E)-4-(3,4-difluorophenyl)-3-methylbut-3-en-2-amine
CID 103091698
(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
CID 103091736
(Z)-4-(6-methoxy-3-pyridinyl)-3-methylbut-3-en-2-amine
CID 103091947
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-propan-2-ylbenzene
CID 79322960
4,4,5,5-tetramethyl-2-[(Z)-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]-1,3,2-dioxaborolane
CID 102455495
dipropan-2-yl 2-[(4-propan-2-ylphenyl)methylidene]propanedioate
CID 170549900
2-[(4-propan-2-ylphenyl)methylidene]butanal
CID 79014775
4-propan-2-ylbenzaldehyde
CID 326
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
CID 103091685

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine?
The IUPAC name of (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine (CID 103091821) is (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine.
What is the SMILES notation for (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine?
The canonical SMILES for (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine is C/C(=C/c1ccc(C(C)C)cc1)C(C)N.
What is the InChIKey of (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine?
The InChIKey is UEKFKCNHAZOFAD-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-10,12H,15H2,1-4H3/b11-9-.
What are the key properties of (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine?
(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine is sourced from PubChem (CID 103091821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).