1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine

C14H22ClFN2 — CID 81145990

IUPAC1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H22ClFN2/c1-3-7-18(8-4-2)14(10-17)11-5-6-13(16)12(15)9-11/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyRVCPDGQFOAMXKP-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine

1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine (PubChem CID 81145990) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
PubChem CID81145990
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H22ClFN2/c1-3-7-18(8-4-2)14(10-17)11-5-6-13(16)12(15)9-11/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyRVCPDGQFOAMXKP-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
CID 81155936
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
1,3-diamino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 116942560
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 81146872
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chloro-4-fluorophenyl)-N-methylethane-1,2-diamine
CID 81145038
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 81146223

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine (CID 81145990) is 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is RVCPDGQFOAMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2/c1-3-7-18(8-4-2)14(10-17)11-5-6-13(16)12(15)9-11/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine?
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 272.80 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 81145990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).