N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine

C16H25NO2 — CID 115898527

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-4-19-12(2)11-17-16(13-5-6-13)14-7-9-15(18-3)10-8-14/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyUHOZCUMVQDWMCB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds8

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine (PubChem CID 115898527) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
PubChem CID115898527
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-4-19-12(2)11-17-16(13-5-6-13)14-7-9-15(18-3)10-8-14/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyUHOZCUMVQDWMCB-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 125466683
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine (CID 115898527) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine is CCOC(C)CNC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine?
The InChIKey is UHOZCUMVQDWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-12(2)11-17-16(13-5-6-13)14-7-9-15(18-3)10-8-14/h7-10,12-13,16-17H,4-6,11H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115898527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).