2-cycloheptyl-N-methyl-2-phenylethanamine

C16H25N — CID 82934094

IUPAC2-cycloheptyl-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c1-17-13-16(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h4,7-8,11-12,14,16-17H,2-3,5-6,9-10,13H2,1H3
InChIKeyWXADKVALTHWMOX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds4

About 2-cycloheptyl-N-methyl-2-phenylethanamine

2-cycloheptyl-N-methyl-2-phenylethanamine (PubChem CID 82934094) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-2-phenylethanamine
PubChem CID82934094
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-cycloheptyl-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c1-17-13-16(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h4,7-8,11-12,14,16-17H,2-3,5-6,9-10,13H2,1H3
InChIKeyWXADKVALTHWMOX-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
CID 105493594
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 82924017
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
2-cyclohexyl-N-methyl-3-phenylpropan-1-amine
CID 82931379
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 12779941

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-2-phenylethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-2-phenylethanamine (CID 82934094) is 2-cycloheptyl-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-2-phenylethanamine is CNCC(c1ccccc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-methyl-2-phenylethanamine?
The InChIKey is WXADKVALTHWMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-17-13-16(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h4,7-8,11-12,14,16-17H,2-3,5-6,9-10,13H2,1H3.
What are the key properties of 2-cycloheptyl-N-methyl-2-phenylethanamine?
2-cycloheptyl-N-methyl-2-phenylethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 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-phenylethanamine is sourced from PubChem (CID 82934094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).