4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline

C14H22N2O — CID 43747336

IUPAC4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
SMILESCN(C)Cc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)10-12-3-5-14(6-4-12)15-9-13-7-8-17-11-13/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFBFDLRBDXHSUEE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline

4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43747336) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
PubChem CID43747336
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
SMILESCN(C)Cc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)10-12-3-5-14(6-4-12)15-9-13-7-8-17-11-13/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFBFDLRBDXHSUEE-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
CID 54863857
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one
CID 60930649
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
3-fluoro-4-methylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887991
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline (CID 43747336) is 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline is CN(C)Cc1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is FBFDLRBDXHSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)10-12-3-5-14(6-4-12)15-9-13-7-8-17-11-13/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline?
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43747336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).