N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine

C17H27NO — CID 81374208

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCc1ccccc1[C@H](C)NC1CCOC(C(C)C)C1
InChIInChI=1S/C17H27NO/c1-12(2)17-11-15(9-10-19-17)18-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyGBMNLYFLOFSWAR-UQPPLGOBSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds4

About N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine

N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine (PubChem CID 81374208) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
PubChem CID81374208
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCc1ccccc1[C@H](C)NC1CCOC(C(C)C)C1
InChIInChI=1S/C17H27NO/c1-12(2)17-11-15(9-10-19-17)18-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyGBMNLYFLOFSWAR-UQPPLGOBSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 81402767
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
N-[(1R)-1-(4-bromophenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81353598
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine (CID 81374208) is N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine is Cc1ccccc1[C@H](C)NC1CCOC(C(C)C)C1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The InChIKey is GBMNLYFLOFSWAR-UQPPLGOBSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)17-11-15(9-10-19-17)18-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine?
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 81374208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).