3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

C13H17FN2 — CID 10536906

IUPAC3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESNCC(N)CC1=Cc2ccc(F)cc2CC1
InChIInChI=1S/C13H17FN2/c14-12-4-3-10-5-9(6-13(16)8-15)1-2-11(10)7-12/h3-5,7,13H,1-2,6,8,15-16H2
InChIKeyVULFDBHNFDTVQP-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.83
Rot. Bonds3

About 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (PubChem CID 10536906) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
PubChem CID10536906
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESNCC(N)CC1=Cc2ccc(F)cc2CC1
InChIInChI=1S/C13H17FN2/c14-12-4-3-10-5-9(6-13(16)8-15)1-2-11(10)7-12/h3-5,7,13H,1-2,6,8,15-16H2
InChIKeyVULFDBHNFDTVQP-UHFFFAOYSA-N
XLogP1.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10681104
methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate
CID 70590431
1-(7-fluoro-3,4-dihydronaphthalen-2-yl)ethanamine
CID 105445138
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
CID 115119393
N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 54161620
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine
CID 83985139
3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 10609540
(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 11424054
14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
CID 174029634

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The IUPAC name of 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (CID 10536906) is 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is NCC(N)CC1=Cc2ccc(F)cc2CC1.
What is the InChIKey of 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The InChIKey is VULFDBHNFDTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-12-4-3-10-5-9(6-13(16)8-15)1-2-11(10)7-12/h3-5,7,13H,1-2,6,8,15-16H2.
What are the key properties of 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine has a molecular weight of 220.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 10536906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).