3-[(butan-2-ylamino)methyl]phenol

C11H17NO — CID 43177331

IUPAC3-[(butan-2-ylamino)methyl]phenol
SMILESCCC(C)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-3-9(2)12-8-10-5-4-6-11(13)7-10/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyKKMBOIDPPNELMX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds4

About 3-[(butan-2-ylamino)methyl]phenol

3-[(butan-2-ylamino)methyl]phenol (PubChem CID 43177331) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]phenol
PubChem CID43177331
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[(butan-2-ylamino)methyl]phenol
SMILESCCC(C)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-3-9(2)12-8-10-5-4-6-11(13)7-10/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyKKMBOIDPPNELMX-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]phenol?
The IUPAC name of 3-[(butan-2-ylamino)methyl]phenol (CID 43177331) is 3-[(butan-2-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]phenol?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]phenol is CCC(C)NCc1cccc(O)c1.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]phenol?
The InChIKey is KKMBOIDPPNELMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9(2)12-8-10-5-4-6-11(13)7-10/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]phenol?
3-[(butan-2-ylamino)methyl]phenol has a molecular weight of 179.26 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-[(butan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43177331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).