(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C19H33NO3 — CID 99729146

IUPAC(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC[C@@H](C)N(Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C
InChIInChI=1S/C19H33NO3/c1-6-16(4)20(12-18(21)14-23-13-15(2)3)11-17-7-9-19(22-5)10-8-17/h7-10,15-16,18,21H,6,11-14H2,1-5H3/t16-,18-/m1/s1
InChIKeyRJQNXULNKICSRK-SJLPKXTDSA-N
MW323.48 g/mol
LogP3.33
Rot. Bonds11

About (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 99729146) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID99729146
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC[C@@H](C)N(Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C
InChIInChI=1S/C19H33NO3/c1-6-16(4)20(12-18(21)14-23-13-15(2)3)11-17-7-9-19(22-5)10-8-17/h7-10,15-16,18,21H,6,11-14H2,1-5H3/t16-,18-/m1/s1
InChIKeyRJQNXULNKICSRK-SJLPKXTDSA-N
XLogP3.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 24717348
(2S)-1-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93163770
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
(2R)-1-[[(2R)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 98628431
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 99730490

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 99729146) is (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC[C@@H](C)N(Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C.
What is the InChIKey of (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is RJQNXULNKICSRK-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H33NO3/c1-6-16(4)20(12-18(21)14-23-13-15(2)3)11-17-7-9-19(22-5)10-8-17/h7-10,15-16,18,21H,6,11-14H2,1-5H3/t16-,18-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 99729146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).