2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine

C17H26F2N2 — CID 104689206

IUPAC2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C17H26F2N2/c1-2-15-6-4-3-5-11-21(15)16(12-20)13-7-9-14(10-8-13)17(18)19/h7-10,15-17H,2-6,11-12,20H2,1H3
InChIKeyCZPKNIOFKRNQTO-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.28
Rot. Bonds5

About 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine

2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine (PubChem CID 104689206) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
PubChem CID104689206
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C17H26F2N2/c1-2-15-6-4-3-5-11-21(15)16(12-20)13-7-9-14(10-8-13)17(18)19/h7-10,15-17H,2-6,11-12,20H2,1H3
InChIKeyCZPKNIOFKRNQTO-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 60916800
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052117
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine (CID 104689206) is 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine is CCC1CCCCCN1C(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine?
The InChIKey is CZPKNIOFKRNQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-2-15-6-4-3-5-11-21(15)16(12-20)13-7-9-14(10-8-13)17(18)19/h7-10,15-17H,2-6,11-12,20H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine?
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine has a molecular weight of 296.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 104689206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).