2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine

C15H23NO — CID 106205912

IUPAC2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(COCCC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-16-10-8-13-4-6-15(7-5-13)12-17-11-9-14-2-3-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyMTNREPOZSSLVPZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.77
Rot. Bonds8

About 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine

2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine (PubChem CID 106205912) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
PubChem CID106205912
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(COCCC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-16-10-8-13-4-6-15(7-5-13)12-17-11-9-14-2-3-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyMTNREPOZSSLVPZ-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine (CID 106205912) is 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine is CNCCc1ccc(COCCC2CC2)cc1.
What is the InChIKey of 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is MTNREPOZSSLVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-10-8-13-4-6-15(7-5-13)12-17-11-9-14-2-3-14/h4-7,14,16H,2-3,8-12H2,1H3.
What are the key properties of 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine?
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 106205912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).