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

C18H31NO2 — CID 24713638

IUPAC1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)CC(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)10-19(11-17-8-6-5-7-9-17)12-18(20)14-21-13-16(3)4/h5-9,15-16,18,20H,10-14H2,1-4H3
InChIKeyWHGKCCIETDPVDC-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.18
Rot. Bonds10

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

1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 24713638) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID24713638
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)CC(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)10-19(11-17-8-6-5-7-9-17)12-18(20)14-21-13-16(3)4/h5-9,15-16,18,20H,10-14H2,1-4H3
InChIKeyWHGKCCIETDPVDC-UHFFFAOYSA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
1-[benzyl(2,2-diethoxyethyl)amino]-3-ethoxypropan-2-ol
CID 3838159
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164162
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 24713638) is 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CN(Cc1ccccc1)CC(C)C.
What is the InChIKey of 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is WHGKCCIETDPVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)10-19(11-17-8-6-5-7-9-17)12-18(20)14-21-13-16(3)4/h5-9,15-16,18,20H,10-14H2,1-4H3.
What are the key properties of 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol?
1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 24713638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).