2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine

C13H20ClNO — CID 65125262

IUPAC2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(2)15-8-11(3)16-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyRFHHGNDTYAMILK-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine

2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 65125262) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID65125262
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(2)15-8-11(3)16-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyRFHHGNDTYAMILK-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65125616
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2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
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2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
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N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine (CID 65125262) is 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is RFHHGNDTYAMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)15-8-11(3)16-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine?
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65125262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).