4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

C14H22ClNO — CID 64666080

IUPAC4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-12(11-16-8-9-17-2)6-7-13-4-3-5-14(15)10-13/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPFLDVCQRRWPEPM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.14
Rot. Bonds8

About 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 64666080) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID64666080
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-12(11-16-8-9-17-2)6-7-13-4-3-5-14(15)10-13/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPFLDVCQRRWPEPM-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.14
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

4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
4-(3-chlorophenyl)-1-methoxybutan-2-amine
CID 62321131
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
CID 119139076
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 64666080) is 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is COCCNCC(C)CCc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is PFLDVCQRRWPEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-12(11-16-8-9-17-2)6-7-13-4-3-5-14(15)10-13/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64666080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).