N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine

C16H25NO2 — CID 82000646

IUPACN-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC)cc1OCC1CC1
InChIInChI=1S/C16H25NO2/c1-4-9-17-12(2)15-8-7-14(18-3)10-16(15)19-11-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyZYITYVIQVRLPNG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds8

About N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine

N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine (PubChem CID 82000646) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
PubChem CID82000646
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC)cc1OCC1CC1
InChIInChI=1S/C16H25NO2/c1-4-9-17-12(2)15-8-7-14(18-3)10-16(15)19-11-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyZYITYVIQVRLPNG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine (CID 82000646) is N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OC)cc1OCC1CC1.
What is the InChIKey of N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine?
The InChIKey is ZYITYVIQVRLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-9-17-12(2)15-8-7-14(18-3)10-16(15)19-11-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine?
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82000646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).