N-[2-(2-chlorophenoxy)propyl]-4-methylaniline

C16H18ClNO — CID 54797024

IUPACN-[2-(2-chlorophenoxy)propyl]-4-methylaniline
SMILESCc1ccc(NCC(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-7-9-14(10-8-12)18-11-13(2)19-16-6-4-3-5-15(16)17/h3-10,13,18H,11H2,1-2H3
InChIKeyBHWDZWJYFYPZJM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(2-chlorophenoxy)propyl]-4-methylaniline

N-[2-(2-chlorophenoxy)propyl]-4-methylaniline (PubChem CID 54797024) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-4-methylaniline
PubChem CID54797024
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-4-methylaniline
SMILESCc1ccc(NCC(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-7-9-14(10-8-12)18-11-13(2)19-16-6-4-3-5-15(16)17/h3-10,13,18H,11H2,1-2H3
InChIKeyBHWDZWJYFYPZJM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenoxy)propyl]-4-(2-cyclohexylethoxy)aniline
CID 46736339
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
CID 54796761
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
CID 12928989
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
3-chloro-N-[2-(2,5-dimethylphenoxy)propyl]-4-fluoroaniline
CID 46736235
N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-4-methylaniline?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-4-methylaniline (CID 54797024) is N-[2-(2-chlorophenoxy)propyl]-4-methylaniline.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-4-methylaniline?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-4-methylaniline is Cc1ccc(NCC(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-4-methylaniline?
The InChIKey is BHWDZWJYFYPZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-7-9-14(10-8-12)18-11-13(2)19-16-6-4-3-5-15(16)17/h3-10,13,18H,11H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-4-methylaniline?
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-4-methylaniline is sourced from PubChem (CID 54797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).