N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine

C13H19FN2 — CID 60985647

IUPACN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-16(9-10-2-3-10)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,2-3,8-9,15H2,1H3
InChIKeyRFVPLROEPXLJJO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.17
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 60985647) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID60985647
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-16(9-10-2-3-10)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,2-3,8-9,15H2,1H3
InChIKeyRFVPLROEPXLJJO-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine (CID 60985647) is N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine is CN(CC1CC1)C(CN)c1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is RFVPLROEPXLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(9-10-2-3-10)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,2-3,8-9,15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 60985647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).