N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine

C19H31NO — CID 107006103

IUPACN-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESC=CCCCCCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C19H31NO/c1-5-7-8-9-10-14-21-19-12-11-16(3)15-18(19)17(4)20-13-6-2/h5,11-12,15,17,20H,1,6-10,13-14H2,2-4H3
InChIKeyWIHFFPPBIFWAHJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.18
Rot. Bonds11

About N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine

N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 107006103) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
PubChem CID107006103
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESC=CCCCCCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C19H31NO/c1-5-7-8-9-10-14-21-19-12-11-16(3)15-18(19)17(4)20-13-6-2/h5,11-12,15,17,20H,1,6-10,13-14H2,2-4H3
InChIKeyWIHFFPPBIFWAHJ-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.18
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

N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 43207324
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine (CID 107006103) is N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine is C=CCCCCCOc1ccc(C)cc1C(C)NCCC.
What is the InChIKey of N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is WIHFFPPBIFWAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-7-8-9-10-14-21-19-12-11-16(3)15-18(19)17(4)20-13-6-2/h5,11-12,15,17,20H,1,6-10,13-14H2,2-4H3.
What are the key properties of N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine?
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107006103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).