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

C17H29NO2 — CID 24713905

IUPAC1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)12-20-13-17(19)11-18(15(3)4)10-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3
InChIKeyVFNVPMHSOYNPGM-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.93
Rot. Bonds9

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

1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 24713905) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID24713905
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)12-20-13-17(19)11-18(15(3)4)10-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3
InChIKeyVFNVPMHSOYNPGM-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713638
(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
CID 93164993
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 7832325
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 99729146
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
CID 154099548
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 24713905) is 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CN(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is VFNVPMHSOYNPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)12-20-13-17(19)11-18(15(3)4)10-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3.
What are the key properties of 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 24713905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).