N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine

C15H23FN2 — CID 62555695

IUPACN'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1F)CC1CC1
InChIInChI=1S/C15H23FN2/c1-2-10-18(12-13-7-8-13)11-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,2,7-12H2,1H3
InChIKeyIABZYNSWWAWVBK-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.36
Rot. Bonds8

About N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine

N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine (PubChem CID 62555695) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
PubChem CID62555695
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1F)CC1CC1
InChIInChI=1S/C15H23FN2/c1-2-10-18(12-13-7-8-13)11-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,2,7-12H2,1H3
InChIKeyIABZYNSWWAWVBK-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 62555539
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560518
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554058
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62555373
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
CID 63167614
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine (CID 62555695) is N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine is CCCN(CCNc1ccccc1F)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine?
The InChIKey is IABZYNSWWAWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-10-18(12-13-7-8-13)11-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,2,7-12H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62555695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).