N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine

C14H22ClNO — CID 65125377

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCOCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-11(2)12(3)16-8-9-17-10-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyDEURLVRAZQLXKJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine (PubChem CID 65125377) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
PubChem CID65125377
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCOCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-11(2)12(3)16-8-9-17-10-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyDEURLVRAZQLXKJ-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.49
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

N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
CID 65125865
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
CID 65125666
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine (CID 65125377) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCOCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine?
The InChIKey is DEURLVRAZQLXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(2)12(3)16-8-9-17-10-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.49, 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-methylbutan-2-amine is sourced from PubChem (CID 65125377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).