(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

C14H20N2O — CID 129386115

IUPAC(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESCOc1ccc2c(c1)C=C(C[C@H](N)CN)CC2
InChIInChI=1S/C14H20N2O/c1-17-14-5-4-11-3-2-10(6-12(11)8-14)7-13(16)9-15/h4-6,8,13H,2-3,7,9,15-16H2,1H3/t13-/m0/s1
InChIKeySIBCVZVOPLLICP-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds4

About (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (PubChem CID 129386115) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
PubChem CID129386115
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESCOc1ccc2c(c1)C=C(C[C@H](N)CN)CC2
InChIInChI=1S/C14H20N2O/c1-17-14-5-4-11-3-2-10(6-12(11)8-14)7-13(16)9-15/h4-6,8,13H,2-3,7,9,15-16H2,1H3/t13-/m0/s1
InChIKeySIBCVZVOPLLICP-ZDUSSCGKSA-N
XLogP1.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10681104
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10536906
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 67598336
5-methoxy-2-methyl-1H-indene
CID 12616525
but-2-enedioic acid;5-[(7-methoxy-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 70271646
6-methoxy-3-methyl-1,2-dihydroisoquinoline
CID 69142122
1-(8-methoxy-4,5-dihydrobenzo[g]indol-1-yl)propan-2-amine
CID 19036433
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene
CID 115511146

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The IUPAC name of (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (CID 129386115) is (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.
What is the SMILES notation for (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The canonical SMILES for (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is COc1ccc2c(c1)C=C(C[C@H](N)CN)CC2.
What is the InChIKey of (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The InChIKey is SIBCVZVOPLLICP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14-5-4-11-3-2-10(6-12(11)8-14)7-13(16)9-15/h4-6,8,13H,2-3,7,9,15-16H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 129386115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).