7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C17H28N2O — CID 70468404

IUPAC7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCCN(CCC)C1c2cc(OC)ccc2CCC1N
InChIInChI=1S/C17H28N2O/c1-4-10-19(11-5-2)17-15-12-14(20-3)8-6-13(15)7-9-16(17)18/h6,8,12,16-17H,4-5,7,9-11,18H2,1-3H3
InChIKeyWVFKNCVPFVHWMS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds6

About 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 70468404) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID70468404
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCCN(CCC)C1c2cc(OC)ccc2CCC1N
InChIInChI=1S/C17H28N2O/c1-4-10-19(11-5-2)17-15-12-14(20-3)8-6-13(15)7-9-16(17)18/h6,8,12,16-17H,4-5,7,9-11,18H2,1-3H3
InChIKeyWVFKNCVPFVHWMS-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
6-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604140
2-N-(2-ethoxyethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79235599
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79248139
2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 107398041
7-methoxy-2-[propan-2-yl(propyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247603
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 70468404) is 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCCN(CCC)C1c2cc(OC)ccc2CCC1N.
What is the InChIKey of 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is WVFKNCVPFVHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-10-19(11-5-2)17-15-12-14(20-3)8-6-13(15)7-9-16(17)18/h6,8,12,16-17H,4-5,7,9-11,18H2,1-3H3.
What are the key properties of 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 70468404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).