N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine

C14H21NO2 — CID 60883199

IUPACN-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1cc(CNCCC)ccc1OC
InChIInChI=1S/C14H21NO2/c1-4-8-15-11-12-6-7-13(16-3)14(10-12)17-9-5-2/h5-7,10,15H,2,4,8-9,11H2,1,3H3
InChIKeyHGRVCZGJRUGJNT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds8

About N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine

N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 60883199) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID60883199
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1cc(CNCCC)ccc1OC
InChIInChI=1S/C14H21NO2/c1-4-8-15-11-12-6-7-13(16-3)14(10-12)17-9-5-2/h5-7,10,15H,2,4,8-9,11H2,1,3H3
InChIKeyHGRVCZGJRUGJNT-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
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-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 60883012
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647846
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289
4-[2-methoxy-5-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361822
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 60882028
N-[[4-methoxy-3-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704541

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 60883199) is N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1cc(CNCCC)ccc1OC.
What is the InChIKey of N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is HGRVCZGJRUGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-8-15-11-12-6-7-13(16-3)14(10-12)17-9-5-2/h5-7,10,15H,2,4,8-9,11H2,1,3H3.
What are the key properties of N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine?
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 60883199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).