2,2,2-trichloro-1-naphthalen-1-ylethanamine

C12H10Cl3N — CID 101218530

IUPAC2,2,2-trichloro-1-naphthalen-1-ylethanamine
SMILESNC(c1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C12H10Cl3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2
InChIKeyBBYYUQOOVPXNEI-UHFFFAOYSA-N
MW274.58 g/mol
LogP4.21
Rot. Bonds1

About 2,2,2-trichloro-1-naphthalen-1-ylethanamine

2,2,2-trichloro-1-naphthalen-1-ylethanamine (PubChem CID 101218530) has the molecular formula C12H10Cl3N and a molecular weight of 274.58 g/mol. Its IUPAC name is 2,2,2-trichloro-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2,2,2-trichloro-1-naphthalen-1-ylethanamine
PubChem CID101218530
Molecular FormulaC12H10Cl3N
Molecular Weight274.58 g/mol
Exact Mass272.99
IUPAC Name2,2,2-trichloro-1-naphthalen-1-ylethanamine
SMILESNC(c1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C12H10Cl3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2
InChIKeyBBYYUQOOVPXNEI-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
CID 23091538
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
CID 71370603
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-naphthalen-1-ylethanamine?
The IUPAC name of 2,2,2-trichloro-1-naphthalen-1-ylethanamine (CID 101218530) is 2,2,2-trichloro-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2,2,2-trichloro-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2,2,2-trichloro-1-naphthalen-1-ylethanamine is NC(c1cccc2ccccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-naphthalen-1-ylethanamine?
The InChIKey is BBYYUQOOVPXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2.
What are the key properties of 2,2,2-trichloro-1-naphthalen-1-ylethanamine?
2,2,2-trichloro-1-naphthalen-1-ylethanamine has a molecular weight of 274.58 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 101218530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).