2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol

C16H27NO — CID 107876200

IUPAC2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
SMILESCCC(C)(CO)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-5-16(4,12-18)17-11-15(13(2)3)14-9-7-6-8-10-14/h6-10,13,15,17-18H,5,11-12H2,1-4H3
InChIKeyCTCQOPPSBXEKNM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds7

About 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol

2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol (PubChem CID 107876200) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
PubChem CID107876200
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
SMILESCCC(C)(CO)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-5-16(4,12-18)17-11-15(13(2)3)14-9-7-6-8-10-14/h6-10,13,15,17-18H,5,11-12H2,1-4H3
InChIKeyCTCQOPPSBXEKNM-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
CID 64549964
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
1-tert-butyl-2-methyl-3-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110966825
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol (CID 107876200) is 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol is CCC(C)(CO)NCC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol?
The InChIKey is CTCQOPPSBXEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(4,12-18)17-11-15(13(2)3)14-9-7-6-8-10-14/h6-10,13,15,17-18H,5,11-12H2,1-4H3.
What are the key properties of 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol?
2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol is sourced from PubChem (CID 107876200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).