2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine

C12H20N2O — CID 143482271

IUPAC2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
SMILESCc1ccc(COCC(CN)CN)cc1
InChIInChI=1S/C12H20N2O/c1-10-2-4-11(5-3-10)8-15-9-12(6-13)7-14/h2-5,12H,6-9,13-14H2,1H3
InChIKeySNGKUXODFBKNCA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.05
Rot. Bonds6

About 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine

2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine (PubChem CID 143482271) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
PubChem CID143482271
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
SMILESCc1ccc(COCC(CN)CN)cc1
InChIInChI=1S/C12H20N2O/c1-10-2-4-11(5-3-10)8-15-9-12(6-13)7-14/h2-5,12H,6-9,13-14H2,1H3
InChIKeySNGKUXODFBKNCA-UHFFFAOYSA-N
XLogP1.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
CID 35753835
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
1-(iodomethoxymethyl)-4-methylbenzene
CID 146521641
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene
CID 58376673
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine?
The IUPAC name of 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine (CID 143482271) is 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine?
The canonical SMILES for 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine is Cc1ccc(COCC(CN)CN)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine?
The InChIKey is SNGKUXODFBKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-2-4-11(5-3-10)8-15-9-12(6-13)7-14/h2-5,12H,6-9,13-14H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine?
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine is sourced from PubChem (CID 143482271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).