4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

C14H22N2O — CID 43591832

IUPAC4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-16(11-14-4-2-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyLZGXXSZHJHELRI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 43591832) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID43591832
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-16(11-14-4-2-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyLZGXXSZHJHELRI-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
CID 43591835
N-methyl-N-(oxan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 61432168
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63077663
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
CID 104528515

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 43591832) is 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is CN(CC1CCCCO1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is LZGXXSZHJHELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(11-14-4-2-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43591832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).