(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine

C16H27NO — CID 100558254

IUPAC(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
SMILESCC[C@@H](C)N[C@@H](C)c1ccc(O[C@@H](C)CC)cc1
InChIInChI=1S/C16H27NO/c1-6-12(3)17-14(5)15-8-10-16(11-9-15)18-13(4)7-2/h8-14,17H,6-7H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyFTOHQJDYBGJLKN-RDBSUJKOSA-N
MW249.40 g/mol
LogP4.31
Rot. Bonds7

About (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine

(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine (PubChem CID 100558254) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
PubChem CID100558254
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
SMILESCC[C@@H](C)N[C@@H](C)c1ccc(O[C@@H](C)CC)cc1
InChIInChI=1S/C16H27NO/c1-6-12(3)17-14(5)15-8-10-16(11-9-15)18-13(4)7-2/h8-14,17H,6-7H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyFTOHQJDYBGJLKN-RDBSUJKOSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
4-butan-2-yloxy-N-methylaniline
CID 54803415
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43285161
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115663811
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine?
The IUPAC name of (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine (CID 100558254) is (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine is CC[C@@H](C)N[C@@H](C)c1ccc(O[C@@H](C)CC)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine?
The InChIKey is FTOHQJDYBGJLKN-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-12(3)17-14(5)15-8-10-16(11-9-15)18-13(4)7-2/h8-14,17H,6-7H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine?
(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine is sourced from PubChem (CID 100558254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).