2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol

C18H31NO — CID 63194009

IUPAC2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)CN(CC(C)(C)C(O)c1ccccc1)C(C)C
InChIInChI=1S/C18H31NO/c1-14(2)12-19(15(3)4)13-18(5,6)17(20)16-10-8-7-9-11-16/h7-11,14-15,17,20H,12-13H2,1-6H3
InChIKeyLQEFMDNUYIFPGK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.11
Rot. Bonds7

About 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol

2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 63194009) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID63194009
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)CN(CC(C)(C)C(O)c1ccccc1)C(C)C
InChIInChI=1S/C18H31NO/c1-14(2)12-19(15(3)4)13-18(5,6)17(20)16-10-8-7-9-11-16/h7-11,14-15,17,20H,12-13H2,1-6H3
InChIKeyLQEFMDNUYIFPGK-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193478
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
3-(dipropylamino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193572
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
CID 81074892
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193525
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901
2,2-dimethyl-N',N'-bis(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 63493468
2-(ethylamino)-3-[2-methylpropyl(propan-2-yl)amino]-2-phenylpropan-1-ol
CID 64827794
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 79490992

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol (CID 63194009) is 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol is CC(C)CN(CC(C)(C)C(O)c1ccccc1)C(C)C.
What is the InChIKey of 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is LQEFMDNUYIFPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)12-19(15(3)4)13-18(5,6)17(20)16-10-8-7-9-11-16/h7-11,14-15,17,20H,12-13H2,1-6H3.
What are the key properties of 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 63194009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).