3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline

C17H22N2O — CID 103959354

IUPAC3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
SMILESCC[C@H](N)c1ccccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19(2)3/h5-12,16H,4,18H2,1-3H3/t16-/m0/s1
InChIKeyHMIPZWPMCNDEDP-INIZCTEOSA-N
MW270.38 g/mol
LogP3.95
Rot. Bonds5

About 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline

3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline (PubChem CID 103959354) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
PubChem CID103959354
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
SMILESCC[C@H](N)c1ccccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19(2)3/h5-12,16H,4,18H2,1-3H3/t16-/m0/s1
InChIKeyHMIPZWPMCNDEDP-INIZCTEOSA-N
XLogP3.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
3-[2-[(1S)-1-aminopropyl]phenoxy]benzonitrile
CID 103959200
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline (CID 103959354) is 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline is CC[C@H](N)c1ccccc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline?
The InChIKey is HMIPZWPMCNDEDP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19(2)3/h5-12,16H,4,18H2,1-3H3/t16-/m0/s1.
What are the key properties of 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline?
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 103959354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).