1-(7-methyloctylamino)-2-phenylpropan-2-ol

C18H31NO — CID 107815064

IUPAC1-(7-methyloctylamino)-2-phenylpropan-2-ol
SMILESCC(C)CCCCCCNCC(C)(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-16(2)11-7-4-5-10-14-19-15-18(3,20)17-12-8-6-9-13-17/h6,8-9,12-13,16,19-20H,4-5,7,10-11,14-15H2,1-3H3
InChIKeyWTFKJVPKBLYSDJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds10

About 1-(7-methyloctylamino)-2-phenylpropan-2-ol

1-(7-methyloctylamino)-2-phenylpropan-2-ol (PubChem CID 107815064) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(7-methyloctylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(7-methyloctylamino)-2-phenylpropan-2-ol
PubChem CID107815064
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(7-methyloctylamino)-2-phenylpropan-2-ol
SMILESCC(C)CCCCCCNCC(C)(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-16(2)11-7-4-5-10-14-19-15-18(3,20)17-12-8-6-9-13-17/h6,8-9,12-13,16,19-20H,4-5,7,10-11,14-15H2,1-3H3
InChIKeyWTFKJVPKBLYSDJ-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.09
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-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(7-methyloctylamino)-2-phenylpropan-2-ol (CID 107815064) is 1-(7-methyloctylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(7-methyloctylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(7-methyloctylamino)-2-phenylpropan-2-ol is CC(C)CCCCCCNCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(7-methyloctylamino)-2-phenylpropan-2-ol?
The InChIKey is WTFKJVPKBLYSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-16(2)11-7-4-5-10-14-19-15-18(3,20)17-12-8-6-9-13-17/h6,8-9,12-13,16,19-20H,4-5,7,10-11,14-15H2,1-3H3.
What are the key properties of 1-(7-methyloctylamino)-2-phenylpropan-2-ol?
1-(7-methyloctylamino)-2-phenylpropan-2-ol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 107815064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).