N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine

C14H21N — CID 72556558

IUPACN-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
SMILESCC(=Cc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C14H21N/c1-12(11-15-14(2,3)4)10-13-8-6-5-7-9-13/h5-10,15H,11H2,1-4H3
InChIKeyMGJZTLPQCIFDCM-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds3

About N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine

N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 72556558) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID72556558
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
SMILESCC(=Cc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C14H21N/c1-12(11-15-14(2,3)4)10-13-8-6-5-7-9-13/h5-10,15H,11H2,1-4H3
InChIKeyMGJZTLPQCIFDCM-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79341054
(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
CID 113328657
(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
CID 114077605
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(Z)-N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379786
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
CID 115633162
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine (CID 72556558) is N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine is CC(=Cc1ccccc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is MGJZTLPQCIFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12(11-15-14(2,3)4)10-13-8-6-5-7-9-13/h5-10,15H,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine?
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 72556558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).