N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine

C18H30N2O — CID 63636897

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C18H30N2O/c1-5-11-20(16-7-6-10-19-13-16)15(3)17-12-14(2)8-9-18(17)21-4/h8-9,12,15-16,19H,5-7,10-11,13H2,1-4H3
InChIKeyINHPBLTXQLHXMS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine (PubChem CID 63636897) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
PubChem CID63636897
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C18H30N2O/c1-5-11-20(16-7-6-10-19-13-16)15(3)17-12-14(2)8-9-18(17)21-4/h8-9,12,15-16,19H,5-7,10-11,13H2,1-4H3
InChIKeyINHPBLTXQLHXMS-UHFFFAOYSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
2-[(5-bromo-2-methoxyphenyl)-[piperidin-3-yl(propyl)amino]methyl]-3-chloro-6-methylphenol
CID 68994104
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine (CID 63636897) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(C)c1cc(C)ccc1OC.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine?
The InChIKey is INHPBLTXQLHXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-11-20(16-7-6-10-19-13-16)15(3)17-12-14(2)8-9-18(17)21-4/h8-9,12,15-16,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).