(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

C15H22FNO2 — CID 82782510

IUPAC(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO2/c1-12(5-4-8-17-9-10-18-2)14-11-13(16)6-7-15(14)19-3/h5-7,11,17H,4,8-10H2,1-3H3/b12-5-
InChIKeyCTCOUDKYAMBCNH-XGICHPGQSA-N
MW267.34 g/mol
LogP2.86
Rot. Bonds8

About (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 82782510) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID82782510
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO2/c1-12(5-4-8-17-9-10-18-2)14-11-13(16)6-7-15(14)19-3/h5-7,11,17H,4,8-10H2,1-3H3/b12-5-
InChIKeyCTCOUDKYAMBCNH-XGICHPGQSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
CID 82782276
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937
5-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607658
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
N-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)pent-3-en-1-amine
CID 79607909
5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598285
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940688

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 82782510) is (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C(/C)c1cc(F)ccc1OC.
What is the InChIKey of (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is CTCOUDKYAMBCNH-XGICHPGQSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(5-4-8-17-9-10-18-2)14-11-13(16)6-7-15(14)19-3/h5-7,11,17H,4,8-10H2,1-3H3/b12-5-.
What are the key properties of (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 82782510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).