N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine

C14H23NO2 — CID 61267266

IUPACN-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C14H23NO2/c1-5-8-17-14-9-13(16-4)7-6-12(14)10-15-11(2)3/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyLIEBDRINAJHNRP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.98
Rot. Bonds7

About N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine

N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine (PubChem CID 61267266) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
PubChem CID61267266
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C14H23NO2/c1-5-8-17-14-9-13(16-4)7-6-12(14)10-15-11(2)3/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyLIEBDRINAJHNRP-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
4-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65246931
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide
CID 82109640
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine (CID 61267266) is N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine is CCCOc1cc(OC)ccc1CNC(C)C.
What is the InChIKey of N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine?
The InChIKey is LIEBDRINAJHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-8-17-14-9-13(16-4)7-6-12(14)10-15-11(2)3/h6-7,9,11,15H,5,8,10H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine?
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61267266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).