1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine

C13H19NO — CID 117110925

IUPAC1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
SMILESCOC1(Cc2cccc(C(C)N)c2)CC1
InChIInChI=1S/C13H19NO/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyAGYVPRUENNEIDI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds4

About 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine

1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine (PubChem CID 117110925) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
PubChem CID117110925
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
SMILESCOC1(Cc2cccc(C(C)N)c2)CC1
InChIInChI=1S/C13H19NO/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyAGYVPRUENNEIDI-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
CID 84727496
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-(3-benzylphenyl)ethanamine
CID 69109207
1-(3-propylphenyl)ethanamine
CID 116543909
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
CID 117108037
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
CID 117112075
2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
CID 117113530
methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
CID 115039579
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine (CID 117110925) is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine is COC1(Cc2cccc(C(C)N)c2)CC1.
What is the InChIKey of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine?
The InChIKey is AGYVPRUENNEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8,10H,6-7,9,14H2,1-2H3.
What are the key properties of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine?
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine is sourced from PubChem (CID 117110925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).