1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol

C17H29NO2 — CID 24713906

IUPAC1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCCC(C)N(Cc1ccccc1)CC(O)COC(C)C
InChIInChI=1S/C17H29NO2/c1-5-15(4)18(11-16-9-7-6-8-10-16)12-17(19)13-20-14(2)3/h6-10,14-15,17,19H,5,11-13H2,1-4H3
InChIKeyIISVACCAHFBLAQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.07
Rot. Bonds9

About 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol

1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24713906) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24713906
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCCC(C)N(Cc1ccccc1)CC(O)COC(C)C
InChIInChI=1S/C17H29NO2/c1-5-15(4)18(11-16-9-7-6-8-10-16)12-17(19)13-20-14(2)3/h6-10,14-15,17,19H,5,11-13H2,1-4H3
InChIKeyIISVACCAHFBLAQ-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 167933634
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 42682271
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
(2R)-1-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732486
1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 24713906) is 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol is CCC(C)N(Cc1ccccc1)CC(O)COC(C)C.
What is the InChIKey of 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is IISVACCAHFBLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-15(4)18(11-16-9-7-6-8-10-16)12-17(19)13-20-14(2)3/h6-10,14-15,17,19H,5,11-13H2,1-4H3.
What are the key properties of 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24713906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).