2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine

C15H14Cl3NO — CID 56614966

IUPAC2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
SMILESNC(c1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H14Cl3NO/c16-15(17,18)14(19)12-6-8-13(9-7-12)20-10-11-4-2-1-3-5-11/h1-9,14H,10,19H2
InChIKeyDZBCRYJQSIUABV-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.64
Rot. Bonds4

About 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine

2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 56614966) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
PubChem CID56614966
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
SMILESNC(c1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H14Cl3NO/c16-15(17,18)14(19)12-6-8-13(9-7-12)20-10-11-4-2-1-3-5-11/h1-9,14H,10,19H2
InChIKeyDZBCRYJQSIUABV-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2,2,2-trichloro-N-methyl-1-(4-phenylmethoxyphenyl)ethanamine
CID 70538423
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine (CID 56614966) is 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine is NC(c1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is DZBCRYJQSIUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c16-15(17,18)14(19)12-6-8-13(9-7-12)20-10-11-4-2-1-3-5-11/h1-9,14H,10,19H2.
What are the key properties of 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine?
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 330.64 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 56614966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).