N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C19H21NO — CID 43591568

IUPACN-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESc1ccc(-c2ccc3c(c2)C(NC2CC2)CCCO3)cc1
InChIInChI=1S/C19H21NO/c1-2-5-14(6-3-1)15-8-11-19-17(13-15)18(7-4-12-21-19)20-16-9-10-16/h1-3,5-6,8,11,13,16,18,20H,4,7,9-10,12H2
InChIKeyQLJJXYVMSJMBEY-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.32
Rot. Bonds3

About N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43591568) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43591568
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESc1ccc(-c2ccc3c(c2)C(NC2CC2)CCCO3)cc1
InChIInChI=1S/C19H21NO/c1-2-5-14(6-3-1)15-8-11-19-17(13-15)18(7-4-12-21-19)20-16-9-10-16/h1-3,5-6,8,11,13,16,18,20H,4,7,9-10,12H2
InChIKeyQLJJXYVMSJMBEY-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245192
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105456603
7-benzyl-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273339
7-fluoro-N-(7-oxaspiro[3.5]nonan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 136551922
4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105491701
7-benzyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273514
8-bromo-N-(oxan-3-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 63360437
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43512662
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43591568) is N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is c1ccc(-c2ccc3c(c2)C(NC2CC2)CCCO3)cc1.
What is the InChIKey of N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is QLJJXYVMSJMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-5-14(6-3-1)15-8-11-19-17(13-15)18(7-4-12-21-19)20-16-9-10-16/h1-3,5-6,8,11,13,16,18,20H,4,7,9-10,12H2.
What are the key properties of N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 279.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 43591568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).