(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine

C13H19NO — CID 115629053

IUPAC(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-10-14-11-12-6-8-13(15-2)9-7-12/h3-4,6-9,14H,5,10-11H2,1-2H3/b4-3+
InChIKeyXQRATYWYZSFWRR-ONEGZZNKSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds6

About (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine

(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine (PubChem CID 115629053) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
PubChem CID115629053
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-10-14-11-12-6-8-13(15-2)9-7-12/h3-4,6-9,14H,5,10-11H2,1-2H3/b4-3+
InChIKeyXQRATYWYZSFWRR-ONEGZZNKSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115
(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115628979
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629149
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine (CID 115629053) is (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1ccc(OC)cc1.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine?
The InChIKey is XQRATYWYZSFWRR-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-10-14-11-12-6-8-13(15-2)9-7-12/h3-4,6-9,14H,5,10-11H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine?
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).