4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline

C14H22N2O — CID 143867362

IUPAC4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
SMILESCC(N)Cc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h4-7,11,14,16H,2-3,8-10,15H2,1H3
InChIKeyQFUITQVRTKRFRN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds5

About 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline

4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline (PubChem CID 143867362) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
PubChem CID143867362
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
SMILESCC(N)Cc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h4-7,11,14,16H,2-3,8-10,15H2,1H3
InChIKeyQFUITQVRTKRFRN-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
CID 115237440

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline (CID 143867362) is 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline is CC(N)Cc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is QFUITQVRTKRFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h4-7,11,14,16H,2-3,8-10,15H2,1H3.
What are the key properties of 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline?
4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 143867362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).