2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol

C16H27NO — CID 81412987

IUPAC2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(C)(CC)CO)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-9-15(14-10-7-6-8-11-14)17-12-16(3,5-2)13-18/h6-8,10-11,15,17-18H,4-5,9,12-13H2,1-3H3
InChIKeyGZYRBRNVJDFEDQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.53
Rot. Bonds8

About 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol

2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol (PubChem CID 81412987) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
PubChem CID81412987
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(C)(CC)CO)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-9-15(14-10-7-6-8-11-14)17-12-16(3,5-2)13-18/h6-8,10-11,15,17-18H,4-5,9,12-13H2,1-3H3
InChIKeyGZYRBRNVJDFEDQ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
CID 82719997
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol (CID 81412987) is 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol is CCCC(NCC(C)(CC)CO)c1ccccc1.
What is the InChIKey of 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol?
The InChIKey is GZYRBRNVJDFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-9-15(14-10-7-6-8-11-14)17-12-16(3,5-2)13-18/h6-8,10-11,15,17-18H,4-5,9,12-13H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol?
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol is sourced from PubChem (CID 81412987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).