N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine

C17H30FN3 — CID 62134640

IUPACN-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C17H30FN3/c1-13(2)12-21(9-8-20(4)5)17(11-19)16-7-6-15(18)10-14(16)3/h6-7,10,13,17H,8-9,11-12,19H2,1-5H3
InChIKeyLYQQEJZOOHYKKU-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62134640) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62134640
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C17H30FN3/c1-13(2)12-21(9-8-20(4)5)17(11-19)16-7-6-15(18)10-14(16)3/h6-7,10,13,17H,8-9,11-12,19H2,1-5H3
InChIKeyLYQQEJZOOHYKKU-UHFFFAOYSA-N
XLogP2.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
1-(5-chloro-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 114843066
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 107397769
1-(4-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842933
N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
CID 62135824
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(2-bromo-4-fluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 114059957
1-(5-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842934
N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 115989943

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 62134640) is N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LYQQEJZOOHYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-13(2)12-21(9-8-20(4)5)17(11-19)16-7-6-15(18)10-14(16)3/h6-7,10,13,17H,8-9,11-12,19H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 295.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62134640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).