N-methyl-N-(2-methylphenyl)azepan-4-amine

C14H22N2 — CID 112690295

IUPACN-methyl-N-(2-methylphenyl)azepan-4-amine
SMILESCc1ccccc1N(C)C1CCCNCC1
InChIInChI=1S/C14H22N2/c1-12-6-3-4-8-14(12)16(2)13-7-5-10-15-11-9-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3
InChIKeyHYTSMHNIZBEAOU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds2

About N-methyl-N-(2-methylphenyl)azepan-4-amine

N-methyl-N-(2-methylphenyl)azepan-4-amine (PubChem CID 112690295) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)azepan-4-amine
PubChem CID112690295
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-N-(2-methylphenyl)azepan-4-amine
SMILESCc1ccccc1N(C)C1CCCNCC1
InChIInChI=1S/C14H22N2/c1-12-6-3-4-8-14(12)16(2)13-7-5-10-15-11-9-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3
InChIKeyHYTSMHNIZBEAOU-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
N-methyl-N-naphthalen-1-ylpiperidin-4-amine
CID 57088493
N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363
N-ethyl-N-phenylazepan-4-amine
CID 112690283
N-[2-bromo-4-(trifluoromethyl)phenyl]-N-methylazepan-4-amine
CID 107174118
N-ethyl-N-(2-fluorophenyl)azepan-4-amine
CID 112690286
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
CID 107172122
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
CID 63643765
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-amine
CID 115118743
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(2-methylphenyl)azepan-4-amine (CID 112690295) is N-methyl-N-(2-methylphenyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)azepan-4-amine is Cc1ccccc1N(C)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)azepan-4-amine?
The InChIKey is HYTSMHNIZBEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-6-3-4-8-14(12)16(2)13-7-5-10-15-11-9-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylphenyl)azepan-4-amine?
N-methyl-N-(2-methylphenyl)azepan-4-amine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)azepan-4-amine is sourced from PubChem (CID 112690295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).