N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine

C14H21FN2 — CID 172563117

IUPACN'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc(C(C)N(CCN)C2CC2)c1F
InChIInChI=1S/C14H21FN2/c1-10-4-3-5-13(14(10)15)11(2)17(9-8-16)12-6-7-12/h3-5,11-12H,6-9,16H2,1-2H3
InChIKeyTYBGJVQNJZFDOP-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds5

About N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 172563117) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID172563117
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc(C(C)N(CCN)C2CC2)c1F
InChIInChI=1S/C14H21FN2/c1-10-4-3-5-13(14(10)15)11(2)17(9-8-16)12-6-7-12/h3-5,11-12H,6-9,16H2,1-2H3
InChIKeyTYBGJVQNJZFDOP-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine (CID 172563117) is N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine is Cc1cccc(C(C)N(CCN)C2CC2)c1F.
What is the InChIKey of N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is TYBGJVQNJZFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-4-3-5-13(14(10)15)11(2)17(9-8-16)12-6-7-12/h3-5,11-12H,6-9,16H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 172563117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).