(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol

C19H25NO — CID 102600646

IUPAC(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)19(21)13-18(17-11-7-4-8-12-17)20-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyKODXGIQNUUXMBG-OALUTQOASA-N
MW283.42 g/mol
LogP3.92
Rot. Bonds7

About (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol

(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol (PubChem CID 102600646) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
PubChem CID102600646
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)19(21)13-18(17-11-7-4-8-12-17)20-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyKODXGIQNUUXMBG-OALUTQOASA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
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
4-[1-(benzylamino)-3-iodo-3-phenylpropyl]aniline
CID 118682451
4-[[(3-methyl-1-phenylbutyl)amino]methyl]benzene-1,2-diol
CID 43224537
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
CID 101095551

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol?
The IUPAC name of (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol (CID 102600646) is (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol.
What is the SMILES notation for (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol?
The canonical SMILES for (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol is CC(C)[C@@H](O)C[C@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol?
The InChIKey is KODXGIQNUUXMBG-OALUTQOASA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)19(21)13-18(17-11-7-4-8-12-17)20-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol?
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol is sourced from PubChem (CID 102600646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).