[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine

C12H17NO — CID 97052425

IUPAC[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
SMILESC[C@H]1C[C@@H]1COc1ccc(CN)cc1
InChIInChI=1S/C12H17NO/c1-9-6-11(9)8-14-12-4-2-10(7-13)3-5-12/h2-5,9,11H,6-8,13H2,1H3/t9-,11+/m0/s1
InChIKeyPIFYAMZHWFPJPH-GXSJLCMTSA-N
MW191.27 g/mol
LogP2.18
Rot. Bonds4

About [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine

[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine (PubChem CID 97052425) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
PubChem CID97052425
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
SMILESC[C@H]1C[C@@H]1COc1ccc(CN)cc1
InChIInChI=1S/C12H17NO/c1-9-6-11(9)8-14-12-4-2-10(7-13)3-5-12/h2-5,9,11H,6-8,13H2,1H3/t9-,11+/m0/s1
InChIKeyPIFYAMZHWFPJPH-GXSJLCMTSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S,2S)-2-methylcyclopropyl]methoxy]aniline
CID 97034249
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-iodo-4-[[(1S,2R)-2-methylcyclobutyl]methoxy]benzene
CID 124748377
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine?
The IUPAC name of [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine (CID 97052425) is [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine?
The canonical SMILES for [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine is C[C@H]1C[C@@H]1COc1ccc(CN)cc1.
What is the InChIKey of [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine?
The InChIKey is PIFYAMZHWFPJPH-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-11(9)8-14-12-4-2-10(7-13)3-5-12/h2-5,9,11H,6-8,13H2,1H3/t9-,11+/m0/s1.
What are the key properties of [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine?
[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 97052425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).