2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol

C19H25NO — CID 101104317

IUPAC2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
SMILESCCC[C@H](c1ccccc1O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-10-18(17-13-8-9-14-19(17)21)20(3)15(2)16-11-6-5-7-12-16/h5-9,11-15,18,21H,4,10H2,1-3H3/t15-,18-/m1/s1
InChIKeyLNQMVRBRLSNVJA-CRAIPNDOSA-N
MW283.42 g/mol
LogP4.93
Rot. Bonds6

About 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol

2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol (PubChem CID 101104317) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
PubChem CID101104317
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
SMILESCCC[C@H](c1ccccc1O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-10-18(17-13-8-9-14-19(17)21)20(3)15(2)16-11-6-5-7-12-16/h5-9,11-15,18,21H,4,10H2,1-3H3/t15-,18-/m1/s1
InChIKeyLNQMVRBRLSNVJA-CRAIPNDOSA-N
XLogP4.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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8-Hydroxy-2-(di-n-propylamino)tetralin, (R)-
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3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
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CID 230856
2-((Dimethylamino)methyl)phenol
CID 32897
4-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)phenol
CID 95056
Bialamicol
CID 10304
(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione
CID 551134

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol?
The IUPAC name of 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol (CID 101104317) is 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol.
What is the SMILES notation for 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol?
The canonical SMILES for 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol is CCC[C@H](c1ccccc1O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol?
The InChIKey is LNQMVRBRLSNVJA-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-10-18(17-13-8-9-14-19(17)21)20(3)15(2)16-11-6-5-7-12-16/h5-9,11-15,18,21H,4,10H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol?
2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol is sourced from PubChem (CID 101104317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).