N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine

C18H21NO — CID 116517453

IUPACN-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
SMILESCNC(COc1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-18(13-20-15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-19H,12-13H2,1H3
InChIKeyMZKFGCNJUGKLQE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine

N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 116517453) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
PubChem CID116517453
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
SMILESCNC(COc1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-18(13-20-15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-19H,12-13H2,1H3
InChIKeyMZKFGCNJUGKLQE-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517771
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
CID 105189048
[2-(4-methoxyphenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105205565

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine (CID 116517453) is N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine is CNC(COc1ccccc1)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is MZKFGCNJUGKLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-18(13-20-15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-19H,12-13H2,1H3.
What are the key properties of N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine?
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 116517453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).