1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine

C18H24N2O — CID 82925202

IUPAC1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-15(14-20(2)3)19-13-16-8-7-11-18(12-16)21-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3
InChIKeyGWEVGBNOCODKNH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.52
Rot. Bonds7

About 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine (PubChem CID 82925202) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
PubChem CID82925202
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-15(14-20(2)3)19-13-16-8-7-11-18(12-16)21-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3
InChIKeyGWEVGBNOCODKNH-UHFFFAOYSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine (CID 82925202) is 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine is CC(CN(C)C)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine?
The InChIKey is GWEVGBNOCODKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(14-20(2)3)19-13-16-8-7-11-18(12-16)21-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 82925202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).