N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine

C18H29NO2 — CID 107006122

IUPACN-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESC=CCCCCCOc1cc(OC)ccc1CNCCC
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-13-21-18-14-17(20-3)11-10-16(18)15-19-12-5-2/h4,10-11,14,19H,1,5-9,12-13,15H2,2-3H3
InChIKeyDNHPGYHVCRVFIS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds12

About N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine

N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 107006122) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID107006122
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESC=CCCCCCOc1cc(OC)ccc1CNCCC
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-13-21-18-14-17(20-3)11-10-16(18)15-19-12-5-2/h4,10-11,14,19H,1,5-9,12-13,15H2,2-3H3
InChIKeyDNHPGYHVCRVFIS-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
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

(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032736
N-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370

Frequently Asked Questions

What is the IUPAC name of N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine (CID 107006122) is N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine is C=CCCCCCOc1cc(OC)ccc1CNCCC.
What is the InChIKey of N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is DNHPGYHVCRVFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-6-7-8-9-13-21-18-14-17(20-3)11-10-16(18)15-19-12-5-2/h4,10-11,14,19H,1,5-9,12-13,15H2,2-3H3.
What are the key properties of N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine?
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107006122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).