N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine

C15H24ClNO — CID 63498348

IUPACN-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)cc(C)c1OC(C)CNCC(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-15-11(3)6-14(16)7-12(15)4/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyGARILWKFDSCITI-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine

N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 63498348) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID63498348
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)cc(C)c1OC(C)CNCC(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-15-11(3)6-14(16)7-12(15)4/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyGARILWKFDSCITI-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 62450743
N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496116
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312
N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
CID 175035603
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
CID 63498349
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63507030
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
2-(4-chloro-2-methylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62571552
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine (CID 63498348) is N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine is Cc1cc(Cl)cc(C)c1OC(C)CNCC(C)C.
What is the InChIKey of N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is GARILWKFDSCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-15-11(3)6-14(16)7-12(15)4/h6-7,10,13,17H,8-9H2,1-5H3.
What are the key properties of N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63498348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).