3-[[(1-methylcyclopropyl)methylamino]methyl]phenol

C12H17NO — CID 103724255

IUPAC3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1(CNCc2cccc(O)c2)CC1
InChIInChI=1S/C12H17NO/c1-12(5-6-12)9-13-8-10-3-2-4-11(14)7-10/h2-4,7,13-14H,5-6,8-9H2,1H3
InChIKeyVQWGHKXTMCCPAG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds4

About 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol

3-[[(1-methylcyclopropyl)methylamino]methyl]phenol (PubChem CID 103724255) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
PubChem CID103724255
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1(CNCc2cccc(O)c2)CC1
InChIInChI=1S/C12H17NO/c1-12(5-6-12)9-13-8-10-3-2-4-11(14)7-10/h2-4,7,13-14H,5-6,8-9H2,1H3
InChIKeyVQWGHKXTMCCPAG-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
4-[[(3-hydroxyphenyl)methylamino]methyl]thian-4-ol
CID 111436641
3-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79352632
4-[[(1-methylcyclopropyl)methylamino]methyl]benzene-1,3-diol
CID 103724419
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
3-(propylaminomethyl)phenol
CID 10725714
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol (CID 103724255) is 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol is CC1(CNCc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is VQWGHKXTMCCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(5-6-12)9-13-8-10-3-2-4-11(14)7-10/h2-4,7,13-14H,5-6,8-9H2,1H3.
What are the key properties of 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 103724255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).