(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine

C14H18FN — CID 166833945

IUPAC(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)c1ccc(F)cc1C(C)C
InChIInChI=1S/C14H18FN/c1-9(2)7-14(16)12-6-5-11(15)8-13(12)10(3)4/h5-8,10H,1,16H2,2-4H3/b14-7-
InChIKeyRPWWBBQWIQIKDA-AUWJEWJLSA-N
MW219.30 g/mol
LogP3.82
Rot. Bonds3

About (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine

(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine (PubChem CID 166833945) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
PubChem CID166833945
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)c1ccc(F)cc1C(C)C
InChIInChI=1S/C14H18FN/c1-9(2)7-14(16)12-6-5-11(15)8-13(12)10(3)4/h5-8,10H,1,16H2,2-4H3/b14-7-
InChIKeyRPWWBBQWIQIKDA-AUWJEWJLSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
(3E,6Z)-7-(4-fluoro-2-propan-2-ylphenyl)-4,6-dimethyl-2-methylideneocta-3,6-dienenitrile
CID 166833469
4-fluoro-2-(1-oxopropan-2-yl)benzamide
CID 87235072
1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
4-fluoro-2-propan-2-ylbenzenethiol
CID 67556850
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
CID 88963468

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine (CID 166833945) is (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine is C=C(C)/C=C(\N)c1ccc(F)cc1C(C)C.
What is the InChIKey of (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine?
The InChIKey is RPWWBBQWIQIKDA-AUWJEWJLSA-N. The full InChI is InChI=1S/C14H18FN/c1-9(2)7-14(16)12-6-5-11(15)8-13(12)10(3)4/h5-8,10H,1,16H2,2-4H3/b14-7-.
What are the key properties of (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine?
(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 166833945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).