2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C17H24N2O — CID 82944857

IUPAC2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc2cc(CNC(C)CN(C)C)ccc2c1
InChIInChI=1S/C17H24N2O/c1-13(12-19(2)3)18-11-14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,13,18H,11-12H2,1-4H3
InChIKeyUXIVJINJFUGNIV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.89
Rot. Bonds6

About 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82944857) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82944857
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc2cc(CNC(C)CN(C)C)ccc2c1
InChIInChI=1S/C17H24N2O/c1-13(12-19(2)3)18-11-14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,13,18H,11-12H2,1-4H3
InChIKeyUXIVJINJFUGNIV-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
CID 82925202
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82944857) is 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc2cc(CNC(C)CN(C)C)ccc2c1.
What is the InChIKey of 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UXIVJINJFUGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(12-19(2)3)18-11-14-5-6-16-10-17(20-4)8-7-15(16)9-14/h5-10,13,18H,11-12H2,1-4H3.
What are the key properties of 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82944857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).