2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol

C14H19NO — CID 64549964

IUPAC2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
SMILESCCC(C)(CO)NCC#Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14(2,12-16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,11-12H2,1-2H3
InChIKeyMCKFVRUHCKIPNH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol

2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol (PubChem CID 64549964) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
PubChem CID64549964
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
SMILESCCC(C)(CO)NCC#Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14(2,12-16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,11-12H2,1-2H3
InChIKeyMCKFVRUHCKIPNH-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(but-2-ynylamino)-2-methylbutan-1-ol
CID 64549963
2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid
CID 62338853
3,3,3-trifluoro-2-methyl-2-(3-phenylprop-2-ynylamino)propanoic acid
CID 79788692
2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
CID 107876200
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
4-(3-phenylprop-2-ynylamino)benzoic acid
CID 13017537
4-tert-butyl-N-(3-phenylprop-2-ynyl)aniline
CID 63487578
2-methyl-1-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 102014487
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
2-methyl-2-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 64551394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol?
The IUPAC name of 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol (CID 64549964) is 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol?
The canonical SMILES for 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol is CCC(C)(CO)NCC#Cc1ccccc1.
What is the InChIKey of 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol?
The InChIKey is MCKFVRUHCKIPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(2,12-16)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol?
2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol is sourced from PubChem (CID 64549964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).