2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline

C16H26N2O — CID 103958935

IUPAC2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1CCOCC1
InChIInChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18(2)12-13-8-10-19-11-9-13/h4-7,13,15H,3,8-12,17H2,1-2H3/t15-/m0/s1
InChIKeyIWPOKHXTHVESOH-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

About 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline

2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 103958935) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
PubChem CID103958935
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1CCOCC1
InChIInChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18(2)12-13-8-10-19-11-9-13/h4-7,13,15H,3,8-12,17H2,1-2H3/t15-/m0/s1
InChIKeyIWPOKHXTHVESOH-HNNXBMFYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
CID 113358796
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline (CID 103958935) is 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline is CC[C@H](N)c1ccccc1N(C)CC1CCOCC1.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is IWPOKHXTHVESOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18(2)12-13-8-10-19-11-9-13/h4-7,13,15H,3,8-12,17H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline?
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 103958935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).