3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline

C19H20N2 — CID 156907246

IUPAC3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
SMILESC[C@@H](NCc1cccc(N)c1)c1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-14(21-13-15-6-4-9-17(20)12-15)18-11-5-8-16-7-2-3-10-19(16)18/h2-12,14,21H,13,20H2,1H3/t14-/m1/s1
InChIKeyPPTSPZFWMPLTCM-CQSZACIVSA-N
MW276.38 g/mol
LogP4.27
Rot. Bonds4

About 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline

3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline (PubChem CID 156907246) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
PubChem CID156907246
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
SMILESC[C@@H](NCc1cccc(N)c1)c1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-14(21-13-15-6-4-9-17(20)12-15)18-11-5-8-16-7-2-3-10-19(16)18/h2-12,14,21H,13,20H2,1H3/t14-/m1/s1
InChIKeyPPTSPZFWMPLTCM-CQSZACIVSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The IUPAC name of 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline (CID 156907246) is 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The canonical SMILES for 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline is C[C@@H](NCc1cccc(N)c1)c1cccc2ccccc12.
What is the InChIKey of 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The InChIKey is PPTSPZFWMPLTCM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2/c1-14(21-13-15-6-4-9-17(20)12-15)18-11-5-8-16-7-2-3-10-19(16)18/h2-12,14,21H,13,20H2,1H3/t14-/m1/s1.
What are the key properties of 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline has a molecular weight of 276.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline is sourced from PubChem (CID 156907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).