N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine

C15H24N2O — CID 107135006

IUPACN-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
SMILESCCCN(Cc1cccc(N)c1)C1CCCOC1
InChIInChI=1S/C15H24N2O/c1-2-8-17(15-7-4-9-18-12-15)11-13-5-3-6-14(16)10-13/h3,5-6,10,15H,2,4,7-9,11-12,16H2,1H3
InChIKeyWXHDDLFZPGHYDJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine

N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine (PubChem CID 107135006) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
PubChem CID107135006
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
SMILESCCCN(Cc1cccc(N)c1)C1CCCOC1
InChIInChI=1S/C15H24N2O/c1-2-8-17(15-7-4-9-18-12-15)11-13-5-3-6-14(16)10-13/h3,5-6,10,15H,2,4,7-9,11-12,16H2,1H3
InChIKeyWXHDDLFZPGHYDJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
CID 63559150
N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135005
3-[[(3,5-dimethylcyclohexyl)-propylamino]methyl]aniline
CID 64737124
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781
3-N-methyl-3-N-(oxan-3-yl)benzene-1,3-diamine
CID 107135022
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
CID 63011151
3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine
CID 63559160
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
CID 64988060
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine (CID 107135006) is N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine is CCCN(Cc1cccc(N)c1)C1CCCOC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine?
The InChIKey is WXHDDLFZPGHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-8-17(15-7-4-9-18-12-15)11-13-5-3-6-14(16)10-13/h3,5-6,10,15H,2,4,7-9,11-12,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine?
N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine is sourced from PubChem (CID 107135006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).