1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C14H20F2N2 — CID 115418719

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(NCC(F)F)c2ccccc21
InChIInChI=1S/C14H20F2N2/c1-10-6-7-14(9-17,18-8-13(15)16)12-5-3-2-4-11(10)12/h2-5,10,13,18H,6-9,17H2,1H3
InChIKeyWNZLCQRYSDBWSJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.59
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115418719) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115418719
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(NCC(F)F)c2ccccc21
InChIInChI=1S/C14H20F2N2/c1-10-6-7-14(9-17,18-8-13(15)16)12-5-3-2-4-11(10)12/h2-5,10,13,18H,6-9,17H2,1H3
InChIKeyWNZLCQRYSDBWSJ-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
CID 113305944
1-(aminomethyl)-N-but-3-ynyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 116641058
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418694
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
(4-methyl-1-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 115418582
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
1-(aminomethyl)-N-cyclohexyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418589
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419705
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115418719) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is CC1CCC(CN)(NCC(F)F)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is WNZLCQRYSDBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-6-7-14(9-17,18-8-13(15)16)12-5-3-2-4-11(10)12/h2-5,10,13,18H,6-9,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115418719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).