2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine

C17H27N — CID 82933613

IUPAC2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNCC(c1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C17H27N/c1-14-9-11-16(12-10-14)17(13-18-2)15-7-5-3-4-6-8-15/h9-12,15,17-18H,3-8,13H2,1-2H3
InChIKeyFTZJTBDGCALNBB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds4

About 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine

2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 82933613) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID82933613
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNCC(c1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C17H27N/c1-14-9-11-16(12-10-14)17(13-18-2)15-7-5-3-4-6-8-15/h9-12,15,17-18H,3-8,13H2,1-2H3
InChIKeyFTZJTBDGCALNBB-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 82924017
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
CID 105493594
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 104819457
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine (CID 82933613) is 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine is CNCC(c1ccc(C)cc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is FTZJTBDGCALNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-9-11-16(12-10-14)17(13-18-2)15-7-5-3-4-6-8-15/h9-12,15,17-18H,3-8,13H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine?
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 82933613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).