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

C17H29NO — CID 62373527

IUPAC1-(octan-2-ylamino)-2-phenylpropan-2-ol
SMILESCCCCCCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H29NO/c1-4-5-6-8-11-15(2)18-14-17(3,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,18-19H,4-6,8,11,14H2,1-3H3
InChIKeyTXHNBZWDVUJXRB-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.84
Rot. Bonds9

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

1-(octan-2-ylamino)-2-phenylpropan-2-ol (PubChem CID 62373527) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(octan-2-ylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(octan-2-ylamino)-2-phenylpropan-2-ol
PubChem CID62373527
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(octan-2-ylamino)-2-phenylpropan-2-ol
SMILESCCCCCCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H29NO/c1-4-5-6-8-11-15(2)18-14-17(3,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,18-19H,4-6,8,11,14H2,1-3H3
InChIKeyTXHNBZWDVUJXRB-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645
1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
(2R)-N-benzylheptan-2-amine
CID 14923313
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
N-(2-phenylpropyl)nonan-2-amine
CID 43130018
1-phenyl-2-propan-2-yldecane-1,1-diol
CID 151363908
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513

Frequently Asked Questions

What is the IUPAC name of 1-(octan-2-ylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(octan-2-ylamino)-2-phenylpropan-2-ol (CID 62373527) is 1-(octan-2-ylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(octan-2-ylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(octan-2-ylamino)-2-phenylpropan-2-ol is CCCCCCC(C)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(octan-2-ylamino)-2-phenylpropan-2-ol?
The InChIKey is TXHNBZWDVUJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-8-11-15(2)18-14-17(3,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,18-19H,4-6,8,11,14H2,1-3H3.
What are the key properties of 1-(octan-2-ylamino)-2-phenylpropan-2-ol?
1-(octan-2-ylamino)-2-phenylpropan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octan-2-ylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62373527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).