N-methyl-1-(3-propoxyphenyl)propan-1-amine

C13H21NO — CID 114979549

IUPACN-methyl-1-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CC)NC)c1
InChIInChI=1S/C13H21NO/c1-4-9-15-12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-14H,4-5,9H2,1-3H3
InChIKeyQCRQQOUWHNIHQK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds6

About N-methyl-1-(3-propoxyphenyl)propan-1-amine

N-methyl-1-(3-propoxyphenyl)propan-1-amine (PubChem CID 114979549) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-propoxyphenyl)propan-1-amine
PubChem CID114979549
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-1-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CC)NC)c1
InChIInChI=1S/C13H21NO/c1-4-9-15-12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-14H,4-5,9H2,1-3H3
InChIKeyQCRQQOUWHNIHQK-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
CID 104986871
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 104996199
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
(2S)-N-[(1S)-1-(3-propoxyphenyl)ethyl]butan-2-amine
CID 100557187

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of N-methyl-1-(3-propoxyphenyl)propan-1-amine (CID 114979549) is N-methyl-1-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(C(CC)NC)c1.
What is the InChIKey of N-methyl-1-(3-propoxyphenyl)propan-1-amine?
The InChIKey is QCRQQOUWHNIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-15-12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-14H,4-5,9H2,1-3H3.
What are the key properties of N-methyl-1-(3-propoxyphenyl)propan-1-amine?
N-methyl-1-(3-propoxyphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 6 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)propan-1-amine is sourced from PubChem (CID 114979549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).