N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine

C17H28FN — CID 153403817

IUPACN-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(C(C)(C)F)cc1C
InChIInChI=1S/C17H28FN/c1-6-10-19(11-7-2)13-15-8-9-16(12-14(15)3)17(4,5)18/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKeyKDCKGCAUOLKFIF-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.82
Rot. Bonds7

About N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine

N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine (PubChem CID 153403817) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine
PubChem CID153403817
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(C(C)(C)F)cc1C
InChIInChI=1S/C17H28FN/c1-6-10-19(11-7-2)13-15-8-9-16(12-14(15)3)17(4,5)18/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKeyKDCKGCAUOLKFIF-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine (CID 153403817) is N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(C(C)(C)F)cc1C.
What is the InChIKey of N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is KDCKGCAUOLKFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-6-10-19(11-7-2)13-15-8-9-16(12-14(15)3)17(4,5)18/h8-9,12H,6-7,10-11,13H2,1-5H3.
What are the key properties of N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine?
N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 153403817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).