(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol

C20H27NO — CID 11109270

IUPAC(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
SMILESCC(C)C[C@@H](O)C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-16(2)13-19(22)14-20(18-11-7-4-8-12-18)21-15-17-9-5-3-6-10-17/h3-12,16,19-22H,13-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyKBJNXBVOBNIGSF-WOJBJXKFSA-N
MW297.44 g/mol
LogP4.31
Rot. Bonds8

About (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol

(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol (PubChem CID 11109270) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol.

Molecular Properties

Compound Name(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
PubChem CID11109270
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
SMILESCC(C)C[C@@H](O)C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-16(2)13-19(22)14-20(18-11-7-4-8-12-18)21-15-17-9-5-3-6-10-17/h3-12,16,19-22H,13-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyKBJNXBVOBNIGSF-WOJBJXKFSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
4-[[(3-methyl-1-phenylbutyl)amino]methyl]benzene-1,2-diol
CID 43224537
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 66611858
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol?
The IUPAC name of (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol (CID 11109270) is (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol.
What is the SMILES notation for (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol?
The canonical SMILES for (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol is CC(C)C[C@@H](O)C[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol?
The InChIKey is KBJNXBVOBNIGSF-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H27NO/c1-16(2)13-19(22)14-20(18-11-7-4-8-12-18)21-15-17-9-5-3-6-10-17/h3-12,16,19-22H,13-15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol?
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol has a molecular weight of 297.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol is sourced from PubChem (CID 11109270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).