(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine

C14H18N2 — CID 170789927

IUPAC(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine
SMILESC[C@@H](N)C1=CN=C(c2ccccc2)CCC1
InChIInChI=1S/C14H18N2/c1-11(15)13-8-5-9-14(16-10-13)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3/t11-/m1/s1
InChIKeyNOLRUZQTLJZZJB-LLVKDONJSA-N
MW214.31 g/mol
LogP2.89
Rot. Bonds2

About (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine

(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine (PubChem CID 170789927) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine
PubChem CID170789927
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine
SMILESC[C@@H](N)C1=CN=C(c2ccccc2)CCC1
InChIInChI=1S/C14H18N2/c1-11(15)13-8-5-9-14(16-10-13)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3/t11-/m1/s1
InChIKeyNOLRUZQTLJZZJB-LLVKDONJSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diphenyl-3,4-dihydropyridine;ethane;methane
CID 142821130
1,1'-biphenyl;cycloheptane
CID 174877368
(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
CID 102451598
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine
CID 170539917
1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
CID 83850126
2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 174666856
4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine
CID 158371813
2,2-dimethyl-1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]germole
CID 101070041
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
(1Z)-1,2-diphenylcyclododecene
CID 5378897
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine?
The IUPAC name of (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine (CID 170789927) is (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine?
The canonical SMILES for (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine is C[C@@H](N)C1=CN=C(c2ccccc2)CCC1.
What is the InChIKey of (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine?
The InChIKey is NOLRUZQTLJZZJB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(15)13-8-5-9-14(16-10-13)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9,15H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine?
(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine is sourced from PubChem (CID 170789927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).