N-[1-(oxolan-3-yl)propyl]aniline

C13H19NO — CID 115729358

IUPACN-[1-(oxolan-3-yl)propyl]aniline
SMILESCCC(Nc1ccccc1)C1CCOC1
InChIInChI=1S/C13H19NO/c1-2-13(11-8-9-15-10-11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyQPSBUGSFOJBDER-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(oxolan-3-yl)propyl]aniline

N-[1-(oxolan-3-yl)propyl]aniline (PubChem CID 115729358) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)propyl]aniline.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)propyl]aniline
PubChem CID115729358
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[1-(oxolan-3-yl)propyl]aniline
SMILESCCC(Nc1ccccc1)C1CCOC1
InChIInChI=1S/C13H19NO/c1-2-13(11-8-9-15-10-11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyQPSBUGSFOJBDER-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(oxolan-3-yl)propyl]aniline
CID 115916687
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
CID 61047784
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
4-methyl-N-[1-(oxolan-3-yl)propyl]pyridin-3-amine
CID 115922202
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
2-chloro-4-iodo-N-[1-(oxolan-3-yl)propyl]aniline
CID 114266795
2-anilino-1-(oxolan-3-yl)ethanol
CID 82239516
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 115706486
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
CID 114266808
N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide
CID 97220838

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)propyl]aniline?
The IUPAC name of N-[1-(oxolan-3-yl)propyl]aniline (CID 115729358) is N-[1-(oxolan-3-yl)propyl]aniline.
What is the SMILES notation for N-[1-(oxolan-3-yl)propyl]aniline?
The canonical SMILES for N-[1-(oxolan-3-yl)propyl]aniline is CCC(Nc1ccccc1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)propyl]aniline?
The InChIKey is QPSBUGSFOJBDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(11-8-9-15-10-11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)propyl]aniline?
N-[1-(oxolan-3-yl)propyl]aniline has a molecular weight of 205.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)propyl]aniline is sourced from PubChem (CID 115729358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).