(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine

C15H23N — CID 82285295

IUPAC(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1/C=C/CN
InChIInChI=1S/C15H23N/c1-11-9-13(15(3,4)5)10-12(2)14(11)7-6-8-16/h6-7,9-10H,8,16H2,1-5H3/b7-6+
InChIKeyDEMLWQLZQPOPSO-VOTSOKGWSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds2

About (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine

(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine (PubChem CID 82285295) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
PubChem CID82285295
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1/C=C/CN
InChIInChI=1S/C15H23N/c1-11-9-13(15(3,4)5)10-12(2)14(11)7-6-8-16/h6-7,9-10H,8,16H2,1-5H3/b7-6+
InChIKeyDEMLWQLZQPOPSO-VOTSOKGWSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
CID 82282686
(E)-3-(3-bromo-2-methoxy-4,6-dimethylphenyl)prop-2-en-1-amine
CID 117428308
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
CID 117316453
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
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
4-(3-chloroprop-1-enyl)-3,5-dimethylaniline
CID 169477372
3-(4-amino-2,6-dimethylphenyl)prop-2-ene-1-thiol
CID 169455191
(E)-3-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117351883
2-[(E)-3-aminoprop-1-enyl]-4,5-dimethylbenzaldehyde
CID 117281497

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine (CID 82285295) is (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine is Cc1cc(C(C)(C)C)cc(C)c1/C=C/CN.
What is the InChIKey of (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is DEMLWQLZQPOPSO-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H23N/c1-11-9-13(15(3,4)5)10-12(2)14(11)7-6-8-16/h6-7,9-10H,8,16H2,1-5H3/b7-6+.
What are the key properties of (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 82285295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).