N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine

C15H24N2O — CID 63936019

IUPACN'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-13-5-2-3-6-15(13)17(10-4-9-16)14-7-11-18-12-8-14/h2-3,5-6,14H,4,7-12,16H2,1H3
InChIKeyXEXAQKTXCOBONW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds5

About N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine

N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 63936019) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID63936019
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-13-5-2-3-6-15(13)17(10-4-9-16)14-7-11-18-12-8-14/h2-3,5-6,14H,4,7-12,16H2,1H3
InChIKeyXEXAQKTXCOBONW-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Mepp
CID 91965
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-Morpholinobenzylamine
CID 2776458
{1-[2-(Aminomethyl)phenyl]piperidin-4-yl}methanol
CID 2764546
N-(2-methylphenyl)piperidin-4-amine
CID 47002671
3-Methyl-1-(2-piperidinophenyl)-1-butylamine, (S)-
CID 10514609
[2-(Piperazin-1-yl)phenyl]methanamine
CID 11041581
[2-(Piperidin-1-yl)phenyl]methanamine
CID 2776509
(3-Morpholinophenyl)methylamine
CID 2795550
1-Methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 18437165
1-[2-(1-Aminoethyl)-4-fluorophenyl]piperidin-4-ol
CID 43188858
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (CID 63936019) is N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is Cc1ccccc1N(CCCN)C1CCOCC1.
What is the InChIKey of N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is XEXAQKTXCOBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-2-3-6-15(13)17(10-4-9-16)14-7-11-18-12-8-14/h2-3,5-6,14H,4,7-12,16H2,1H3.
What are the key properties of N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 63936019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).