(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine

C14H21NO — CID 82286004

IUPAC(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-14(2,3)12-10-11(6-5-9-15)7-8-13(12)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyCAGAUFJDPLMIEK-AATRIKPKSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine

(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine (PubChem CID 82286004) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
PubChem CID82286004
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-14(2,3)12-10-11(6-5-9-15)7-8-13(12)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyCAGAUFJDPLMIEK-AATRIKPKSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117342269
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82122627
2-[(3-tert-butyl-4-methoxyphenyl)methylidene]propanedinitrile
CID 4191127
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 27060391
5-but-1-enyl-2-methoxyphenol
CID 154188368
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine (CID 82286004) is (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine is COc1ccc(/C=C/CN)cc1C(C)(C)C.
What is the InChIKey of (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is CAGAUFJDPLMIEK-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)12-10-11(6-5-9-15)7-8-13(12)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+.
What are the key properties of (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine?
(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 82286004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).