N-methyl-1-(3-propoxyphenyl)ethanamine

C12H19NO — CID 43279892

IUPACN-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(C)NC)c1
InChIInChI=1S/C12H19NO/c1-4-8-14-12-7-5-6-11(9-12)10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3
InChIKeyYILLLQAJKQKNRZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-1-(3-propoxyphenyl)ethanamine

N-methyl-1-(3-propoxyphenyl)ethanamine (PubChem CID 43279892) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propoxyphenyl)ethanamine
PubChem CID43279892
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(C)NC)c1
InChIInChI=1S/C12H19NO/c1-4-8-14-12-7-5-6-11(9-12)10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3
InChIKeyYILLLQAJKQKNRZ-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
(2S)-N-[(1S)-1-(3-propoxyphenyl)ethyl]butan-2-amine
CID 100557187
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-propoxyphenyl)ethanamine (CID 43279892) is N-methyl-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-1-(3-propoxyphenyl)ethanamine?
The InChIKey is YILLLQAJKQKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-8-14-12-7-5-6-11(9-12)10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-(3-propoxyphenyl)ethanamine?
N-methyl-1-(3-propoxyphenyl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 43279892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).