2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

C13H21FN2 — CID 117040092

IUPAC2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1cc(CCN(C)C(C)CN)ccc1F
InChIInChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)6-7-16(3)11(2)9-15/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyYTISYEHJWBTJGM-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.96
Rot. Bonds5

About 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (PubChem CID 117040092) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
PubChem CID117040092
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1cc(CCN(C)C(C)CN)ccc1F
InChIInChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)6-7-16(3)11(2)9-15/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyYTISYEHJWBTJGM-UHFFFAOYSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 117040198
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
CID 115272485
3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (CID 117040092) is 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is Cc1cc(CCN(C)C(C)CN)ccc1F.
What is the InChIKey of 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is YTISYEHJWBTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)6-7-16(3)11(2)9-15/h4-5,8,11H,6-7,9,15H2,1-3H3.
What are the key properties of 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117040092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).