(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine

C15H21F2N — CID 113328657

IUPAC(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C15H21F2N/c1-11(10-18-15(2,3)4)9-12-5-7-13(8-6-12)14(16)17/h5-9,14,18H,10H2,1-4H3/b11-9-
InChIKeyRRZIYISIFQMQAM-LUAWRHEFSA-N
MW253.34 g/mol
LogP4.42
Rot. Bonds4

About (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine

(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine (PubChem CID 113328657) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
PubChem CID113328657
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C15H21F2N/c1-11(10-18-15(2,3)4)9-12-5-7-13(8-6-12)14(16)17/h5-9,14,18H,10H2,1-4H3/b11-9-
InChIKeyRRZIYISIFQMQAM-LUAWRHEFSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79341054
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
CID 114077605
(Z)-N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379786
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
3-[4-(difluoromethyl)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170801280
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
CID 79343823
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
CID 104863108

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine (CID 113328657) is (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine is C/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine?
The InChIKey is RRZIYISIFQMQAM-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(10-18-15(2,3)4)9-12-5-7-13(8-6-12)14(16)17/h5-9,14,18H,10H2,1-4H3/b11-9-.
What are the key properties of (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine?
(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 113328657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).