N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine

C20H27FN2 — CID 19879377

IUPACN-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CNCCCN(C)C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H27FN2/c1-16(15-22-12-7-13-23(2)3)18-10-11-19(20(21)14-18)17-8-5-4-6-9-17/h4-6,8-11,14,16,22H,7,12-13,15H2,1-3H3
InChIKeyLSFMSFAYPDGBTQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.14
Rot. Bonds8

About N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 19879377) has the molecular formula C20H27FN2 and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID19879377
Molecular FormulaC20H27FN2
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC NameN-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CNCCCN(C)C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H27FN2/c1-16(15-22-12-7-13-23(2)3)18-10-11-19(20(21)14-18)17-8-5-4-6-9-17/h4-6,8-11,14,16,22H,7,12-13,15H2,1-3H3
InChIKeyLSFMSFAYPDGBTQ-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
2-(3-fluoro-4-phenylphenyl)-N-(2-methoxyethyl)-N-methylpropanamide
CID 69403433
(2S)-2-(3-fluoro-4-phenylphenyl)-N-[3-[3-[[4-[3-[3-[[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]propylamino]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propylamino]propyl]propanamide
CID 25221267
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[3-[3-[[4-[3-[3-[[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]propylamino]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propylamino]propyl]propanamide
CID 72545286
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
CID 90036441
tert-butyl N-[3-[[(2S)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]propyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 72544830
2-fluoro-4-[3-(methoxymethoxy)-3-methylbutan-2-yl]-1-phenylbenzene
CID 174915891
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine (CID 19879377) is N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine is CC(CNCCCN(C)C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LSFMSFAYPDGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2/c1-16(15-22-12-7-13-23(2)3)18-10-11-19(20(21)14-18)17-8-5-4-6-9-17/h4-6,8-11,14,16,22H,7,12-13,15H2,1-3H3.
What are the key properties of N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 314.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 19879377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).