2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine

C14H21NO — CID 117108037

IUPAC2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1cccc(CC2(OC)CC2)c1
InChIInChI=1S/C14H21NO/c1-15-9-6-12-4-3-5-13(10-12)11-14(16-2)7-8-14/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyGNOPOTLDJFTJAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.17
Rot. Bonds6

About 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine

2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine (PubChem CID 117108037) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
PubChem CID117108037
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1cccc(CC2(OC)CC2)c1
InChIInChI=1S/C14H21NO/c1-15-9-6-12-4-3-5-13(10-12)11-14(16-2)7-8-14/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyGNOPOTLDJFTJAW-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
CID 84727157
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
CID 117112075
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
CID 117110925
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-2,2-dimethylpropanoic acid
CID 117107914
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112941

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine (CID 117108037) is 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine is CNCCc1cccc(CC2(OC)CC2)c1.
What is the InChIKey of 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine?
The InChIKey is GNOPOTLDJFTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-9-6-12-4-3-5-13(10-12)11-14(16-2)7-8-14/h3-5,10,15H,6-9,11H2,1-2H3.
What are the key properties of 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine?
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 117108037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).