1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine

C16H22N2O — CID 62069963

IUPAC1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)NC(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)18-14(10-17)16-13-7-5-4-6-12(13)8-9-15(16)19-3/h4-9,11,14,18H,10,17H2,1-3H3
InChIKeyZJNTYKLPXDTWAD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine

1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62069963) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62069963
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)NC(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)18-14(10-17)16-13-7-5-4-6-12(13)8-9-15(16)19-3/h4-9,11,14,18H,10,17H2,1-3H3
InChIKeyZJNTYKLPXDTWAD-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine
CID 115406276
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43380370
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
CID 102334236
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine (CID 62069963) is 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine is COc1ccc2ccccc2c1C(CN)NC(C)C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is ZJNTYKLPXDTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)18-14(10-17)16-13-7-5-4-6-12(13)8-9-15(16)19-3/h4-9,11,14,18H,10,17H2,1-3H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine?
1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62069963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).