N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

C18H21FN2 — CID 103314121

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(Cc1ccc(F)cc1)C1CCc2ccccc2NC1
InChIInChI=1S/C18H21FN2/c1-21(13-14-6-9-16(19)10-7-14)17-11-8-15-4-2-3-5-18(15)20-12-17/h2-7,9-10,17,20H,8,11-13H2,1H3
InChIKeyPVTDNALOSMBDPX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.68
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (PubChem CID 103314121) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
PubChem CID103314121
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(Cc1ccc(F)cc1)C1CCc2ccccc2NC1
InChIInChI=1S/C18H21FN2/c1-21(13-14-6-9-16(19)10-7-14)17-11-8-15-4-2-3-5-18(15)20-12-17/h2-7,9-10,17,20H,8,11-13H2,1H3
InChIKeyPVTDNALOSMBDPX-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314167
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
CID 103314051
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134795524
(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155770
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 54861284

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (CID 103314121) is N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is CN(Cc1ccc(F)cc1)C1CCc2ccccc2NC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The InChIKey is PVTDNALOSMBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-21(13-14-6-9-16(19)10-7-14)17-11-8-15-4-2-3-5-18(15)20-12-17/h2-7,9-10,17,20H,8,11-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is sourced from PubChem (CID 103314121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).