N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine

C16H25NO2 — CID 103782832

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCOCC1CC1)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-3-15(14-6-4-5-7-16(14)18-2)17-10-11-19-12-13-8-9-13/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyIETJYJQTSKJAOL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds9

About N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine

N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 103782832) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID103782832
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCOCC1CC1)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-3-15(14-6-4-5-7-16(14)18-2)17-10-11-19-12-13-8-9-13/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyIETJYJQTSKJAOL-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine (CID 103782832) is N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCCOCC1CC1)c1ccccc1OC.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is IETJYJQTSKJAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(14-6-4-5-7-16(14)18-2)17-10-11-19-12-13-8-9-13/h4-7,13,15,17H,3,8-12H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 103782832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).