N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C18H30N2O — CID 106637808

IUPACN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccccc1OCCN(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)20(14-17-8-6-10-19-13-17)11-12-21-18-9-5-4-7-16(18)3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3
InChIKeyXXLMDXDSTKMEDO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106637808) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106637808
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccccc1OCCN(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)20(14-17-8-6-10-19-13-17)11-12-21-18-9-5-4-7-16(18)3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3
InChIKeyXXLMDXDSTKMEDO-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106637808) is N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine is Cc1ccccc1OCCN(CC1CCCNC1)C(C)C.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is XXLMDXDSTKMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20(14-17-8-6-10-19-13-17)11-12-21-18-9-5-4-7-16(18)3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106637808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).