N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

C21H21ClN2O2 — CID 66526077

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccc(COc2ccc(CNCCOc3ccccn3)cc2)cc1
InChIInChI=1S/C21H21ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-13-14-25-21-3-1-2-12-24-21/h1-12,23H,13-16H2
InChIKeyMFNFBTFREQGRRU-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.48
Rot. Bonds9

About N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66526077) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66526077
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccc(COc2ccc(CNCCOc3ccccn3)cc2)cc1
InChIInChI=1S/C21H21ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-13-14-25-21-3-1-2-12-24-21/h1-12,23H,13-16H2
InChIKeyMFNFBTFREQGRRU-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 132902601
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526459
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (CID 66526077) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is Clc1ccc(COc2ccc(CNCCOc3ccccn3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is MFNFBTFREQGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-13-14-25-21-3-1-2-12-24-21/h1-12,23H,13-16H2.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 368.86 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66526077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).