(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine

C14H21N — CID 82282686

IUPAC(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C(C)(C)C)cc1/C=C/CN
InChIInChI=1S/C14H21N/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyDIDPZWAEJMLBLM-AATRIKPKSA-N
MW203.33 g/mol
LogP3.26
Rot. Bonds2

About (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine

(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine (PubChem CID 82282686) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
PubChem CID82282686
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C(C)(C)C)cc1/C=C/CN
InChIInChI=1S/C14H21N/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyDIDPZWAEJMLBLM-AATRIKPKSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-aminoprop-1-enyl)-4-methylbenzoic acid
CID 169463798
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
(E)-6-(5-tert-butyl-2-methylphenyl)hex-5-enoic acid
CID 95466871
4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
CID 117313202
5-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-4-methylphenol
CID 117313201
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine (CID 82282686) is (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine is Cc1ccc(C(C)(C)C)cc1/C=C/CN.
What is the InChIKey of (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine?
The InChIKey is DIDPZWAEJMLBLM-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21N/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h5-8,10H,9,15H2,1-4H3/b6-5+.
What are the key properties of (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine?
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 82282686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).