2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine

C14H21ClFN — CID 63515341

IUPAC2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)c1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFN/c1-3-8-14(10-17,9-4-2)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3
InChIKeyUXTXSFPYPWCDGL-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine

2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine (PubChem CID 63515341) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
PubChem CID63515341
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)c1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFN/c1-3-8-14(10-17,9-4-2)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3
InChIKeyUXTXSFPYPWCDGL-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 63516841
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
tert-butyl 4-amino-3-(2-chloro-6-fluorophenyl)-3-methylbutanoate
CID 146308139
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
CID 112567783
2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
CID 82017487

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine (CID 63515341) is 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine is CCCC(CN)(CCC)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine?
The InChIKey is UXTXSFPYPWCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-8-14(10-17,9-4-2)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine?
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63515341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).