N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine

C16H26N2O — CID 63192958

IUPACN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)N1CCOc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-13(11-17-16(2,3)4)18-9-10-19-15-8-6-5-7-14(15)12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyMHOOYAOBKNZKKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine (PubChem CID 63192958) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
PubChem CID63192958
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)N1CCOc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-13(11-17-16(2,3)4)18-9-10-19-15-8-6-5-7-14(15)12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyMHOOYAOBKNZKKV-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
2,3,4,5-Tetrahydro-1,4-benzoxazepine
CID 21882775
1-[2-(2-Ethylphenoxy)ethyl]azepane hydrochloride
CID 71526742
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
4,5-dihydro-1,4-benzoxazepin-3(2H)-one
CID 919801
Benzyl-(2-phenoxy-ethyl)-amine
CID 20256387
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
(2S,3S)-2-(3,5-ditritiophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 71450958

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine (CID 63192958) is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine is CC(CNC(C)(C)C)N1CCOc2ccccc2C1.
What is the InChIKey of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is MHOOYAOBKNZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(11-17-16(2,3)4)18-9-10-19-15-8-6-5-7-14(15)12-18/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine?
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63192958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).