N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine

C12H19FN2 — CID 61350683

IUPACN'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3
InChIKeyCXOGRVJIGFCYCC-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.00
Rot. Bonds6

About N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine

N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 61350683) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
PubChem CID61350683
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3
InChIKeyCXOGRVJIGFCYCC-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
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2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
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N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
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3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid
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2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
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N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
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1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine (CID 61350683) is N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCN)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is CXOGRVJIGFCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine?
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 61350683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).