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

C16H26N2O — CID 62629255

IUPACN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)C1CCOCC1
InChIInChI=1S/C16H26N2O/c1-13-5-3-4-6-15(13)16(17)7-10-18(2)14-8-11-19-12-9-14/h3-6,14,16H,7-12,17H2,1-2H3
InChIKeyHSVFXYWUKLHVKC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds5

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

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62629255) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID62629255
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)C1CCOCC1
InChIInChI=1S/C16H26N2O/c1-13-5-3-4-6-15(13)16(17)7-10-18(2)14-8-11-19-12-9-14/h3-6,14,16H,7-12,17H2,1-2H3
InChIKeyHSVFXYWUKLHVKC-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
N'-methyl-1-(2-methylphenyl)-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712539
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
1-(2-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625961
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (CID 62629255) is N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is Cc1ccccc1C(N)CCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is HSVFXYWUKLHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-3-4-6-15(13)16(17)7-10-18(2)14-8-11-19-12-9-14/h3-6,14,16H,7-12,17H2,1-2H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62629255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).