1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine

C15H22N2O — CID 112735507

IUPAC1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine
SMILESNC(CC1CC1)CN1CCOc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-14(9-12-5-6-12)11-17-7-8-18-15-4-2-1-3-13(15)10-17/h1-4,12,14H,5-11,16H2
InChIKeyHMSMPDPNHFVHCP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine

1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine (PubChem CID 112735507) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine
PubChem CID112735507
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine
SMILESNC(CC1CC1)CN1CCOc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-14(9-12-5-6-12)11-17-7-8-18-15-4-2-1-3-13(15)10-17/h1-4,12,14H,5-11,16H2
InChIKeyHMSMPDPNHFVHCP-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-amine
CID 112736679
2-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanenitrile
CID 55159850
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-fluorophenyl)ethanamine
CID 107521114
methyl 2-amino-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoate
CID 55159851
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenylpropanenitrile
CID 64536951
(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
CID 124506000
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-methylphenyl)ethanol
CID 63192897
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)hexan-2-amine
CID 63189422
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropanimidamide
CID 63193188
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79611628

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine (CID 112735507) is 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine is NC(CC1CC1)CN1CCOc2ccccc2C1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine?
The InChIKey is HMSMPDPNHFVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14(9-12-5-6-12)11-17-7-8-18-15-4-2-1-3-13(15)10-17/h1-4,12,14H,5-11,16H2.
What are the key properties of 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine?
1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine is sourced from PubChem (CID 112735507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).