N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H27ClN2O — CID 106617019

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(CCOc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C17H27ClN2O/c1-14(2)12-20(13-16-6-4-8-19-16)9-10-21-17-7-3-5-15(18)11-17/h3,5,7,11,14,16,19H,4,6,8-10,12-13H2,1-2H3
InChIKeyYWIKRCCOJBTJFK-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.43
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106617019) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106617019
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(CCOc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C17H27ClN2O/c1-14(2)12-20(13-16-6-4-8-19-16)9-10-21-17-7-3-5-15(18)11-17/h3,5,7,11,14,16,19H,4,6,8-10,12-13H2,1-2H3
InChIKeyYWIKRCCOJBTJFK-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605404
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605640
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605408
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
2-[2-(3,5-dimethylphenoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618194

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106617019) is N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)CN(CCOc1cccc(Cl)c1)CC1CCCN1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is YWIKRCCOJBTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-14(2)12-20(13-16-6-4-8-19-16)9-10-21-17-7-3-5-15(18)11-17/h3,5,7,11,14,16,19H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106617019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).