1-(hexan-2-ylamino)-2-phenylpropan-2-ol

C15H25NO — CID 62374352

IUPAC1-(hexan-2-ylamino)-2-phenylpropan-2-ol
SMILESCCCCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-5-9-13(2)16-12-15(3,17)14-10-7-6-8-11-14/h6-8,10-11,13,16-17H,4-5,9,12H2,1-3H3
InChIKeyRHJSSLNAQYMDKU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds7

About 1-(hexan-2-ylamino)-2-phenylpropan-2-ol

1-(hexan-2-ylamino)-2-phenylpropan-2-ol (PubChem CID 62374352) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(hexan-2-ylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(hexan-2-ylamino)-2-phenylpropan-2-ol
PubChem CID62374352
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(hexan-2-ylamino)-2-phenylpropan-2-ol
SMILESCCCCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-5-9-13(2)16-12-15(3,17)14-10-7-6-8-11-14/h6-8,10-11,13,16-17H,4-5,9,12H2,1-3H3
InChIKeyRHJSSLNAQYMDKU-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-2-ylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(hexan-2-ylamino)-2-phenylpropan-2-ol (CID 62374352) is 1-(hexan-2-ylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(hexan-2-ylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(hexan-2-ylamino)-2-phenylpropan-2-ol is CCCCC(C)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(hexan-2-ylamino)-2-phenylpropan-2-ol?
The InChIKey is RHJSSLNAQYMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-9-13(2)16-12-15(3,17)14-10-7-6-8-11-14/h6-8,10-11,13,16-17H,4-5,9,12H2,1-3H3.
What are the key properties of 1-(hexan-2-ylamino)-2-phenylpropan-2-ol?
1-(hexan-2-ylamino)-2-phenylpropan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-2-ylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62374352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).