N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C14H21ClN2O — CID 115634762

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(Cl)c1CNCCN1CCCC1
InChIInChI=1S/C14H21ClN2O/c1-18-14-6-4-5-13(15)12(14)11-16-7-10-17-8-2-3-9-17/h4-6,16H,2-3,7-11H2,1H3
InChIKeyDKTSWMSYGTULRZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.53
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 115634762) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID115634762
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(Cl)c1CNCCN1CCCC1
InChIInChI=1S/C14H21ClN2O/c1-18-14-6-4-5-13(15)12(14)11-16-7-10-17-8-2-3-9-17/h4-6,16H,2-3,7-11H2,1H3
InChIKeyDKTSWMSYGTULRZ-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115634821
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
CID 103292702
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrrolidin-1-ylbutan-1-amine
CID 82364520

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 115634762) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is COc1cccc(Cl)c1CNCCN1CCCC1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is DKTSWMSYGTULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-14-6-4-5-13(15)12(14)11-16-7-10-17-8-2-3-9-17/h4-6,16H,2-3,7-11H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 115634762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).