1-methyl-2-phenylazepane

C13H19N — CID 23447707

IUPAC1-methyl-2-phenylazepane
SMILESCN1CCCCCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-14-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyRJJRKJKPLQICGT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds1

About 1-methyl-2-phenylazepane

1-methyl-2-phenylazepane (PubChem CID 23447707) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-methyl-2-phenylazepane.

Molecular Properties

Compound Name1-methyl-2-phenylazepane
PubChem CID23447707
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-methyl-2-phenylazepane
SMILESCN1CCCCCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-14-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyRJJRKJKPLQICGT-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-phenylazetidine
CID 576373
1-ethyl-2-phenylazepane
CID 59678181
4-(1-methylpiperidin-2-yl)benzaldehyde
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N,N-dimethyl-2-phenylpiperidin-1-amine
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(2S)-2-phenyl-1-propan-2-ylpiperidine
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4-methyl-3-phenyl-1,4-oxazepane
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3-(1-methyl(115N)azolidin-2-yl)pyridine
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CID 158783488
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
1-butyl-2-phenylpiperidine
CID 10036306
1-methyl-8-phenyl-1,4-diazocan-5-one
CID 86192713
1-dimethoxyphosphoryl-2-phenylpiperidine
CID 91096563

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylazepane?
The IUPAC name of 1-methyl-2-phenylazepane (CID 23447707) is 1-methyl-2-phenylazepane.
What is the SMILES notation for 1-methyl-2-phenylazepane?
The canonical SMILES for 1-methyl-2-phenylazepane is CN1CCCCCC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylazepane?
The InChIKey is RJJRKJKPLQICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of 1-methyl-2-phenylazepane?
1-methyl-2-phenylazepane has a molecular weight of 189.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylazepane is sourced from PubChem (CID 23447707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).