N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine

C16H26N2O — CID 63726962

IUPACN-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCN(CC1CCOCC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18(13-14-8-11-19-12-9-14)16(7-10-17)15-5-3-2-4-6-15/h2-6,14,16H,7-13,17H2,1H3
InChIKeyQIAZRVIZUZELEF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine

N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine (PubChem CID 63726962) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
PubChem CID63726962
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCN(CC1CCOCC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18(13-14-8-11-19-12-9-14)16(7-10-17)15-5-3-2-4-6-15/h2-6,14,16H,7-13,17H2,1H3
InChIKeyQIAZRVIZUZELEF-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
CID 82981409
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
CID 63726447
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine (CID 63726962) is N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine is CN(CC1CCOCC1)C(CCN)c1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The InChIKey is QIAZRVIZUZELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(13-14-8-11-19-12-9-14)16(7-10-17)15-5-3-2-4-6-15/h2-6,14,16H,7-13,17H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63726962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).