(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine

C19H33NO — CID 142550099

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine
SMILESCCCCCC[C@@H](C)N(CCC)Cc1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-17(3)20(15-6-2)16-18-11-13-19(21-4)14-12-18/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1
InChIKeyLGKFDNBVWQDXSR-QGZVFWFLSA-N
MW291.48 g/mol
LogP5.27
Rot. Bonds11

About (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine

(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine (PubChem CID 142550099) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine
PubChem CID142550099
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine
SMILESCCCCCC[C@@H](C)N(CCC)Cc1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-17(3)20(15-6-2)16-18-11-13-19(21-4)14-12-18/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1
InChIKeyLGKFDNBVWQDXSR-QGZVFWFLSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(2-chlorooctyl)-4-methoxybenzene
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1-(heptan-2-yloxymethyl)-4-methoxybenzene
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4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
N-[[4-[[di(tridecan-2-yl)amino]methyl]phenyl]methyl]-N-tridecan-2-yltridecan-2-amine;dihydrochloride
CID 173275062
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-methoxyphenyl)-N-methyldecan-2-amine
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1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine (CID 142550099) is (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine is CCCCCC[C@@H](C)N(CCC)Cc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine?
The InChIKey is LGKFDNBVWQDXSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-17(3)20(15-6-2)16-18-11-13-19(21-4)14-12-18/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine?
(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine is sourced from PubChem (CID 142550099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).