(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine

C16H17N3 — CID 13136452

IUPAC(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine
SMILESNCC1CN=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H17N3/c17-10-13-11-18-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19-13/h1-9,13,19H,10-11,17H2
InChIKeyHAYNMBQGUNAMTP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.28
Rot. Bonds2

About (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine

(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine (PubChem CID 13136452) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine.

Molecular Properties

Compound Name(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine
PubChem CID13136452
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine
SMILESNCC1CN=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H17N3/c17-10-13-11-18-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19-13/h1-9,13,19H,10-11,17H2
InChIKeyHAYNMBQGUNAMTP-UHFFFAOYSA-N
XLogP2.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine?
The IUPAC name of (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine (CID 13136452) is (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine.
What is the SMILES notation for (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine?
The canonical SMILES for (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine is NCC1CN=C(c2ccccc2)c2ccccc2N1.
What is the InChIKey of (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine?
The InChIKey is HAYNMBQGUNAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-10-13-11-18-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19-13/h1-9,13,19H,10-11,17H2.
What are the key properties of (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine?
(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine is sourced from PubChem (CID 13136452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).