(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol

C17H27NO2 — CID 142508077

IUPAC(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol
SMILESCCCCCOc1ccc(/C=C/CC(CO)NC)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(14-19)18-2/h6-7,9-12,16,18-19H,3-5,8,13-14H2,1-2H3/b7-6+
InChIKeyMILBBTCAGXFZCX-VOTSOKGWSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds10

About (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol

(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol (PubChem CID 142508077) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol
PubChem CID142508077
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol
SMILESCCCCCOc1ccc(/C=C/CC(CO)NC)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(14-19)18-2/h6-7,9-12,16,18-19H,3-5,8,13-14H2,1-2H3/b7-6+
InChIKeyMILBBTCAGXFZCX-VOTSOKGWSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
CID 169474720
(E,2R,3S)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-ene-1,3-diol
CID 59561748
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methanol
CID 10963487
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
1,4-dipentoxybenzene
CID 18314717
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
(E)-N-ethyl-4-(4-pentoxyphenyl)but-3-en-2-amine
CID 103092555

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol?
The IUPAC name of (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol (CID 142508077) is (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol.
What is the SMILES notation for (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol?
The canonical SMILES for (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol is CCCCCOc1ccc(/C=C/CC(CO)NC)cc1.
What is the InChIKey of (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol?
The InChIKey is MILBBTCAGXFZCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(14-19)18-2/h6-7,9-12,16,18-19H,3-5,8,13-14H2,1-2H3/b7-6+.
What are the key properties of (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol?
(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol is sourced from PubChem (CID 142508077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).