3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol

C13H21NO — CID 83820334

IUPAC3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCc1ccccc1C(CCO)NC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)14-13(8-9-15)12-7-5-4-6-11(12)3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyFUTJTOPJPWYYDE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol

3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol (PubChem CID 83820334) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
PubChem CID83820334
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCc1ccccc1C(CCO)NC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)14-13(8-9-15)12-7-5-4-6-11(12)3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyFUTJTOPJPWYYDE-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propan-1-ol
CID 97174936
3-(3-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 83820333
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
4,4,4-trifluoro-3-(2-methylphenyl)butan-1-ol
CID 115030499
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol (CID 83820334) is 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol is Cc1ccccc1C(CCO)NC(C)C.
What is the InChIKey of 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is FUTJTOPJPWYYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)14-13(8-9-15)12-7-5-4-6-11(12)3/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol?
3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 83820334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).