4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine

C12H18ClNO — CID 65125313

IUPAC4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-8-2-3-9-15-10-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyCMWJOGZLXPYMBO-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.86
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine

4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine (PubChem CID 65125313) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
PubChem CID65125313
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-8-2-3-9-15-10-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyCMWJOGZLXPYMBO-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.86
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-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
5-(4-chlorophenoxy)-N-methylpentan-1-amine
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3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
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1-chloro-4-[20-(4-chlorophenoxy)icos-10-enoxymethyl]benzene
CID 57214176
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
CID 65125377
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine (CID 65125313) is 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine is CNCCCCOCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine?
The InChIKey is CMWJOGZLXPYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-14-8-2-3-9-15-10-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine?
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 65125313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).