2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol

C16H27NO — CID 81411110

IUPAC2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(3,13-18)12-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3
InChIKeyDNZBNNGIAAHGPA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds8

About 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol

2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol (PubChem CID 81411110) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
PubChem CID81411110
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(3,13-18)12-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3
InChIKeyDNZBNNGIAAHGPA-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
CID 79551723
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol (CID 81411110) is 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol is CCC(C)(CO)CNC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol?
The InChIKey is DNZBNNGIAAHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-16(3,13-18)12-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol?
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 81411110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).