N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C17H27ClN2O — CID 106632189

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCOc1ccc(Cl)cc1)CC1CCCCN1
InChIInChI=1S/C17H27ClN2O/c1-14(2)20(13-16-5-3-4-10-19-16)11-12-21-17-8-6-15(18)7-9-17/h6-9,14,16,19H,3-5,10-13H2,1-2H3
InChIKeyZAHJCAZHAVGYSW-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106632189) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106632189
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCOc1ccc(Cl)cc1)CC1CCCCN1
InChIInChI=1S/C17H27ClN2O/c1-14(2)20(13-16-5-3-4-10-19-16)11-12-21-17-8-6-15(18)7-9-17/h6-9,14,16,19H,3-5,10-13H2,1-2H3
InChIKeyZAHJCAZHAVGYSW-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001232
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106632189) is N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(CCOc1ccc(Cl)cc1)CC1CCCCN1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is ZAHJCAZHAVGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-14(2)20(13-16-5-3-4-10-19-16)11-12-21-17-8-6-15(18)7-9-17/h6-9,14,16,19H,3-5,10-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106632189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).