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

C12H18N2 — CID 58466703

IUPAC(2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN[C@@]1(CN)CCc2ccccc2C1
InChIInChI=1S/C12H18N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-9,13H2,1H3/t12-/m0/s1
InChIKeyUMOROCTVSIHWCO-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.09
Rot. Bonds2

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

(2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 58466703) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID58466703
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN[C@@]1(CN)CCc2ccccc2C1
InChIInChI=1S/C12H18N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-9,13H2,1H3/t12-/m0/s1
InChIKeyUMOROCTVSIHWCO-LBPRGKRZSA-N
XLogP1.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 58466703) is (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is CN[C@@]1(CN)CCc2ccccc2C1.
What is the InChIKey of (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is UMOROCTVSIHWCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-9,13H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
(2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 190.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 58466703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).