N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride

C19H27Cl2FN2 — CID 19996189

IUPACN'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
SMILESCCCCc1ccc(NCCC(N)c2ccc(F)cc2)cc1.Cl.Cl
InChIInChI=1S/C19H25FN2.2ClH/c1-2-3-4-15-5-11-18(12-6-15)22-14-13-19(21)16-7-9-17(20)10-8-16;;/h5-12,19,22H,2-4,13-14,21H2,1H3;2*1H
InChIKeyQBPNUFCZIOYKIY-UHFFFAOYSA-N
MW373.34 g/mol
LogP5.51
Rot. Bonds8

About N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride

N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride (PubChem CID 19996189) has the molecular formula C19H27Cl2FN2 and a molecular weight of 373.34 g/mol. Its IUPAC name is N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
PubChem CID19996189
Molecular FormulaC19H27Cl2FN2
Molecular Weight373.34 g/mol
Exact Mass372.15
IUPAC NameN'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
SMILESCCCCc1ccc(NCCC(N)c2ccc(F)cc2)cc1.Cl.Cl
InChIInChI=1S/C19H25FN2.2ClH/c1-2-3-4-15-5-11-18(12-6-15)22-14-13-19(21)16-7-9-17(20)10-8-16;;/h5-12,19,22H,2-4,13-14,21H2,1H3;2*1H
InChIKeyQBPNUFCZIOYKIY-UHFFFAOYSA-N
XLogP5.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.34
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N'-(4-octylphenyl)propane-1,3-diamine
CID 15181347
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
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N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
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1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-decylsulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
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2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
CID 78836194

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride (CID 19996189) is N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride is CCCCc1ccc(NCCC(N)c2ccc(F)cc2)cc1.Cl.Cl.
What is the InChIKey of N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride?
The InChIKey is QBPNUFCZIOYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2.2ClH/c1-2-3-4-15-5-11-18(12-6-15)22-14-13-19(21)16-7-9-17(20)10-8-16;;/h5-12,19,22H,2-4,13-14,21H2,1H3;2*1H.
What are the key properties of N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride?
N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride has a molecular weight of 373.34 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 19996189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).