N,N-diethyl-3-fluoro-3H-azepin-2-amine

C10H15FN2 — CID 86202491

IUPACN,N-diethyl-3-fluoro-3H-azepin-2-amine
SMILESCCN(CC)C1=NC=CC=CC1F
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)10-9(11)7-5-6-8-12-10/h5-9H,3-4H2,1-2H3
InChIKeyBPVJKMQDAGABTK-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.15
Rot. Bonds2

About N,N-diethyl-3-fluoro-3H-azepin-2-amine

N,N-diethyl-3-fluoro-3H-azepin-2-amine (PubChem CID 86202491) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-3H-azepin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-3H-azepin-2-amine
PubChem CID86202491
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN,N-diethyl-3-fluoro-3H-azepin-2-amine
SMILESCCN(CC)C1=NC=CC=CC1F
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)10-9(11)7-5-6-8-12-10/h5-9H,3-4H2,1-2H3
InChIKeyBPVJKMQDAGABTK-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-fluoro-3H-azepin-2-amine
CID 13580905
3-(difluoromethylidene)-N,N-diethylazepin-2-amine
CID 85836515
N,N-diethyl-5-(trifluoromethyl)-3H-azepin-2-amine
CID 172418752
N,N-diethyl-6-(trifluoromethyl)-3H-azepin-2-amine
CID 172418759
N,N-diethyl-4-(trifluoromethyl)-3H-azepin-2-amine
CID 172418760
N,N-diethyl-5-methyl-6-(trifluoromethyl)-3H-azepin-2-amine
CID 172418771
N,N-diethyl-5-methyl-4-(trifluoromethyl)-3H-azepin-2-amine
CID 172418772
3H-Azepin-2-amine, N,N-diethyl-
CID 12218543
N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
4-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218532

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-3H-azepin-2-amine?
The IUPAC name of N,N-diethyl-3-fluoro-3H-azepin-2-amine (CID 86202491) is N,N-diethyl-3-fluoro-3H-azepin-2-amine.
What is the SMILES notation for N,N-diethyl-3-fluoro-3H-azepin-2-amine?
The canonical SMILES for N,N-diethyl-3-fluoro-3H-azepin-2-amine is CCN(CC)C1=NC=CC=CC1F.
What is the InChIKey of N,N-diethyl-3-fluoro-3H-azepin-2-amine?
The InChIKey is BPVJKMQDAGABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-13(4-2)10-9(11)7-5-6-8-12-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-fluoro-3H-azepin-2-amine?
N,N-diethyl-3-fluoro-3H-azepin-2-amine has a molecular weight of 182.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-3H-azepin-2-amine is sourced from PubChem (CID 86202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).