1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine

C16H22ClN3O — CID 105167751

IUPAC1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3O/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3
InChIKeyGEWZWDIDCMZPKU-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.16
Rot. Bonds8

About 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine

1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 105167751) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID105167751
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3O/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3
InChIKeyGEWZWDIDCMZPKU-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
1-(3-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751530
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 105167751) is 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(COc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is GEWZWDIDCMZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105167751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).