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

C14H21NO — CID 115629115

IUPAC(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(OCC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-6-11-15-12-13-7-9-14(10-8-13)16-4-2/h3,5,7-10,15H,4,6,11-12H2,1-2H3/b5-3+
InChIKeyOFUNHMLTYPTLHK-HWKANZROSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds7

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

(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine (PubChem CID 115629115) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
PubChem CID115629115
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(OCC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-6-11-15-12-13-7-9-14(10-8-13)16-4-2/h3,5,7-10,15H,4,6,11-12H2,1-2H3/b5-3+
InChIKeyOFUNHMLTYPTLHK-HWKANZROSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
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-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
N-[(4-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 55173586
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine (CID 115629115) is (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1ccc(OCC)cc1.
What is the InChIKey of (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine?
The InChIKey is OFUNHMLTYPTLHK-HWKANZROSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-6-11-15-12-13-7-9-14(10-8-13)16-4-2/h3,5,7-10,15H,4,6,11-12H2,1-2H3/b5-3+.
What are the key properties of (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine?
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).