2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline

C15H23NO — CID 65163393

IUPAC2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
SMILESCc1cccc(NCCCC2CCCO2)c1C
InChIInChI=1S/C15H23NO/c1-12-6-3-9-15(13(12)2)16-10-4-7-14-8-5-11-17-14/h3,6,9,14,16H,4-5,7-8,10-11H2,1-2H3
InChIKeyBZIFDKUPWMQZJY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.67
Rot. Bonds5

About 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline

2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline (PubChem CID 65163393) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
PubChem CID65163393
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
SMILESCc1cccc(NCCCC2CCCO2)c1C
InChIInChI=1S/C15H23NO/c1-12-6-3-9-15(13(12)2)16-10-4-7-14-8-5-11-17-14/h3,6,9,14,16H,4-5,7-8,10-11H2,1-2H3
InChIKeyBZIFDKUPWMQZJY-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
4-methyl-3-[3-(oxolan-2-yl)propylamino]benzonitrile
CID 65163795
4-bromo-2-ethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 81292324
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
N-[3-(oxolan-2-yl)propyl]-4-propylaniline
CID 65163877
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163282

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline (CID 65163393) is 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline is Cc1cccc(NCCCC2CCCO2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline?
The InChIKey is BZIFDKUPWMQZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-3-9-15(13(12)2)16-10-4-7-14-8-5-11-17-14/h3,6,9,14,16H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline?
2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline has a molecular weight of 233.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline is sourced from PubChem (CID 65163393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).