2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine

C14H19F3N2O — CID 115510736

IUPAC2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(NCC(F)(F)F)CC2
InChIInChI=1S/C14H19F3N2O/c1-20-12-3-2-10-4-5-13(8-18,7-11(10)6-12)19-9-14(15,16)17/h2-3,6,19H,4-5,7-9,18H2,1H3
InChIKeyKVFLCBDNVWAUDN-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.03
Rot. Bonds4

About 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 115510736) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID115510736
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(NCC(F)(F)F)CC2
InChIInChI=1S/C14H19F3N2O/c1-20-12-3-2-10-4-5-13(8-18,7-11(10)6-12)19-9-14(15,16)17/h2-3,6,19H,4-5,7-9,18H2,1H3
InChIKeyKVFLCBDNVWAUDN-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 115510736) is 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine is COc1ccc2c(c1)CC(CN)(NCC(F)(F)F)CC2.
What is the InChIKey of 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is KVFLCBDNVWAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-12-3-2-10-4-5-13(8-18,7-11(10)6-12)19-9-14(15,16)17/h2-3,6,19H,4-5,7-9,18H2,1H3.
What are the key properties of 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 115510736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).