4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane

C15H16Cl3FNP — CID 90944409

IUPAC4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
SMILESCc1cccc(CCNc2ccc(F)cc2)c1.ClP(Cl)Cl
InChIInChI=1S/C15H16FN.Cl3P/c1-12-3-2-4-13(11-12)9-10-17-15-7-5-14(16)6-8-15;1-4(2)3/h2-8,11,17H,9-10H2,1H3;
InChIKeyPKQLVCXFZRWGLR-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.72
Rot. Bonds4

About 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane (PubChem CID 90944409) has the molecular formula C15H16Cl3FNP and a molecular weight of 366.63 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
PubChem CID90944409
Molecular FormulaC15H16Cl3FNP
Molecular Weight366.63 g/mol
Exact Mass365.01
IUPAC Name4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
SMILESCc1cccc(CCNc2ccc(F)cc2)c1.ClP(Cl)Cl
InChIInChI=1S/C15H16FN.Cl3P/c1-12-3-2-4-13(11-12)9-10-17-15-7-5-14(16)6-8-15;1-4(2)3/h2-8,11,17H,9-10H2,1H3;
InChIKeyPKQLVCXFZRWGLR-UHFFFAOYSA-N
XLogP6.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
CID 76852078
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 71021184

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane?
The IUPAC name of 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane (CID 90944409) is 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane.
What is the SMILES notation for 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane?
The canonical SMILES for 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane is Cc1cccc(CCNc2ccc(F)cc2)c1.ClP(Cl)Cl.
What is the InChIKey of 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane?
The InChIKey is PKQLVCXFZRWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN.Cl3P/c1-12-3-2-4-13(11-12)9-10-17-15-7-5-14(16)6-8-15;1-4(2)3/h2-8,11,17H,9-10H2,1H3;.
What are the key properties of 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane?
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane has a molecular weight of 366.63 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane is sourced from PubChem (CID 90944409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).