N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine

C18H29NO2 — CID 107006062

IUPACN-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
SMILESC=CCCCCCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C18H29NO2/c1-5-6-7-8-9-12-21-17-11-10-16(13-18(17)20-4)14-19-15(2)3/h5,10-11,13,15,19H,1,6-9,12,14H2,2-4H3
InChIKeyOZWJQPKMMSLLFQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds11

About N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine

N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine (PubChem CID 107006062) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
PubChem CID107006062
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
SMILESC=CCCCCCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C18H29NO2/c1-5-6-7-8-9-12-21-17-11-10-16(13-18(17)20-4)14-19-15(2)3/h5,10-11,13,15,19H,1,6-9,12,14H2,2-4H3
InChIKeyOZWJQPKMMSLLFQ-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122

Frequently Asked Questions

What is the IUPAC name of N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine (CID 107006062) is N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine is C=CCCCCCOc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is OZWJQPKMMSLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-6-7-8-9-12-21-17-11-10-16(13-18(17)20-4)14-19-15(2)3/h5,10-11,13,15,19H,1,6-9,12,14H2,2-4H3.
What are the key properties of N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine?
N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 107006062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).