(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine

C19H21NO — CID 42423634

IUPAC(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc([C@@H]2CN(CC3CC3)Cc3ccccc3O2)cc1
InChIInChI=1S/C19H21NO/c1-2-6-16(7-3-1)19-14-20(12-15-10-11-15)13-17-8-4-5-9-18(17)21-19/h1-9,15,19H,10-14H2/t19-/m0/s1
InChIKeyVIKDLBDNQGDXMM-IBGZPJMESA-N
MW279.38 g/mol
LogP4.03
Rot. Bonds3

About (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine

(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 42423634) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID42423634
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc([C@@H]2CN(CC3CC3)Cc3ccccc3O2)cc1
InChIInChI=1S/C19H21NO/c1-2-6-16(7-3-1)19-14-20(12-15-10-11-15)13-17-8-4-5-9-18(17)21-19/h1-9,15,19H,10-14H2/t19-/m0/s1
InChIKeyVIKDLBDNQGDXMM-IBGZPJMESA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(cyclopropylmethyl)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42500743
[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
CID 56853664
2-(4-bromophenyl)-4-ethyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 118678729
(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 26348516
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
CID 45199672
N-(1,2-oxazol-3-ylmethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45226832
4-ethyl-2-[4-(2H-tetrazol-5-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 118678713
4-ethyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 118687064
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45166999
N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 26345173
4-methoxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 145003230

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine (CID 42423634) is (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine is c1ccc([C@@H]2CN(CC3CC3)Cc3ccccc3O2)cc1.
What is the InChIKey of (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is VIKDLBDNQGDXMM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21NO/c1-2-6-16(7-3-1)19-14-20(12-15-10-11-15)13-17-8-4-5-9-18(17)21-19/h1-9,15,19H,10-14H2/t19-/m0/s1.
What are the key properties of (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine?
(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 279.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 42423634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).