2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol

C16H27NO — CID 81419089

IUPAC2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3/t14-/m1/s1
InChIKeyHBNSHTBUZSJVDN-CQSZACIVSA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds7

About 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol

2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol (PubChem CID 81419089) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
PubChem CID81419089
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3/t14-/m1/s1
InChIKeyHBNSHTBUZSJVDN-CQSZACIVSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419088
2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 103904636
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 104644812
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol (CID 81419089) is 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol is CCC(CC)(CO)CN[C@H](C)c1cccc(C)c1.
What is the InChIKey of 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The InChIKey is HBNSHTBUZSJVDN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 81419089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).