2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline

C16H26N2O — CID 43591944

IUPAC2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCCCO1
InChIInChI=1S/C16H26N2O/c1-2-10-18(13-15-8-5-6-11-19-15)12-14-7-3-4-9-16(14)17/h3-4,7,9,15H,2,5-6,8,10-13,17H2,1H3
InChIKeyBJRUZMNCZOGAFY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds6

About 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline

2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline (PubChem CID 43591944) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
PubChem CID43591944
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCCCO1
InChIInChI=1S/C16H26N2O/c1-2-10-18(13-15-8-5-6-11-19-15)12-14-7-3-4-9-16(14)17/h3-4,7,9,15H,2,5-6,8,10-13,17H2,1H3
InChIKeyBJRUZMNCZOGAFY-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
CID 29105671
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098

Frequently Asked Questions

What is the IUPAC name of 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline (CID 43591944) is 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline is CCCN(Cc1ccccc1N)CC1CCCCO1.
What is the InChIKey of 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline?
The InChIKey is BJRUZMNCZOGAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-18(13-15-8-5-6-11-19-15)12-14-7-3-4-9-16(14)17/h3-4,7,9,15H,2,5-6,8,10-13,17H2,1H3.
What are the key properties of 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline?
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 43591944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).