3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine

C14H19F3N2 — CID 103366312

IUPAC3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
SMILESNCC(CN1CCCc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13(8-18)10-19-7-3-6-11-4-1-2-5-12(11)9-19/h1-2,4-5,13H,3,6-10,18H2
InChIKeyKVJSXKBZGHOVTA-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.57
Rot. Bonds3

About 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine

3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine (PubChem CID 103366312) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
PubChem CID103366312
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
SMILESNCC(CN1CCCc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13(8-18)10-19-7-3-6-11-4-1-2-5-12(11)9-19/h1-2,4-5,13H,3,6-10,18H2
InChIKeyKVJSXKBZGHOVTA-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine (CID 103366312) is 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine is NCC(CN1CCCc2ccccc2C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine?
The InChIKey is KVJSXKBZGHOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)13(8-18)10-19-7-3-6-11-4-1-2-5-12(11)9-19/h1-2,4-5,13H,3,6-10,18H2.
What are the key properties of 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 103366312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).