1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C14H23FN2 — CID 116905981

IUPAC1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(CNC(C)C)N(C)C)ccc1F
InChIInChI=1S/C14H23FN2/c1-10(2)16-9-14(17(4)5)12-6-7-13(15)11(3)8-12/h6-8,10,14,16H,9H2,1-5H3
InChIKeyKUSAPDYAVDNWCG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.73
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116905981) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116905981
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(CNC(C)C)N(C)C)ccc1F
InChIInChI=1S/C14H23FN2/c1-10(2)16-9-14(17(4)5)12-6-7-13(15)11(3)8-12/h6-8,10,14,16H,9H2,1-5H3
InChIKeyKUSAPDYAVDNWCG-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
dimethylamino-(4-fluoro-3-methylphenyl)methanethiol
CID 116909362
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
[1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105199475
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
4-(1-bromopropan-2-yl)-1-fluoro-2-methylbenzene
CID 82081986
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
2-(dimethylamino)-3-(4-fluoro-3-methylphenyl)butanenitrile
CID 82079823
3-[1-(4-fluoro-3-methylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 110838634

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 116905981) is 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is Cc1cc(C(CNC(C)C)N(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is KUSAPDYAVDNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(2)16-9-14(17(4)5)12-6-7-13(15)11(3)8-12/h6-8,10,14,16H,9H2,1-5H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116905981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).