N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine

C15H24ClNO — CID 65125865

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCOCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-15(2,3)8-9-17-10-11-18-12-13-4-6-14(16)7-5-13/h4-7,17H,8-12H2,1-3H3
InChIKeyDOAUENSKOPHUGL-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.88
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 65125865) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
PubChem CID65125865
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCOCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-15(2,3)8-9-17-10-11-18-12-13-4-6-14(16)7-5-13/h4-7,17H,8-12H2,1-3H3
InChIKeyDOAUENSKOPHUGL-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
CID 65125377
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
4-chloro-N-[2-(3,3-dimethylbutoxy)ethyl]aniline
CID 66226649
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
CID 65125666
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine (CID 65125865) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCOCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is DOAUENSKOPHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-15(2,3)8-9-17-10-11-18-12-13-4-6-14(16)7-5-13/h4-7,17H,8-12H2,1-3H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 65125865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).