[3-[(butan-2-ylamino)methyl]phenyl]methanol

C12H19NO — CID 115717741

IUPAC[3-[(butan-2-ylamino)methyl]phenyl]methanol
SMILESCCC(C)NCc1cccc(CO)c1
InChIInChI=1S/C12H19NO/c1-3-10(2)13-8-11-5-4-6-12(7-11)9-14/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyYYKWDHNYWVYOTI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.07
Rot. Bonds5

About [3-[(butan-2-ylamino)methyl]phenyl]methanol

[3-[(butan-2-ylamino)methyl]phenyl]methanol (PubChem CID 115717741) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [3-[(butan-2-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(butan-2-ylamino)methyl]phenyl]methanol
PubChem CID115717741
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[3-[(butan-2-ylamino)methyl]phenyl]methanol
SMILESCCC(C)NCc1cccc(CO)c1
InChIInChI=1S/C12H19NO/c1-3-10(2)13-8-11-5-4-6-12(7-11)9-14/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyYYKWDHNYWVYOTI-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
CID 125443275
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
CID 103781733
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222

Frequently Asked Questions

What is the IUPAC name of [3-[(butan-2-ylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(butan-2-ylamino)methyl]phenyl]methanol (CID 115717741) is [3-[(butan-2-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(butan-2-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(butan-2-ylamino)methyl]phenyl]methanol is CCC(C)NCc1cccc(CO)c1.
What is the InChIKey of [3-[(butan-2-ylamino)methyl]phenyl]methanol?
The InChIKey is YYKWDHNYWVYOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10(2)13-8-11-5-4-6-12(7-11)9-14/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of [3-[(butan-2-ylamino)methyl]phenyl]methanol?
[3-[(butan-2-ylamino)methyl]phenyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.07, 5 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]phenyl]methanol is sourced from PubChem (CID 115717741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).