N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine

C10H14F2N2 — CID 83108468

IUPACN-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(C)NCC(F)(F)c1ccncc1
InChIInChI=1S/C10H14F2N2/c1-8(2)14-7-10(11,12)9-3-5-13-6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeySEHGJXDNSHBSJW-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.17
Rot. Bonds4

About N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine

N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine (PubChem CID 83108468) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
PubChem CID83108468
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(C)NCC(F)(F)c1ccncc1
InChIInChI=1S/C10H14F2N2/c1-8(2)14-7-10(11,12)9-3-5-13-6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeySEHGJXDNSHBSJW-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine (CID 83108468) is N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine is CC(C)NCC(F)(F)c1ccncc1.
What is the InChIKey of N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is SEHGJXDNSHBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8(2)14-7-10(11,12)9-3-5-13-6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine?
N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine has a molecular weight of 200.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 83108468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).