4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine

C13H20ClNO — CID 65305189

IUPAC4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCOc1ccc(CCC(C)(C)CN)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-13(2,9-15)7-6-10-4-5-11(16-3)8-12(10)14/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyNGSWCMPIAUHVQE-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.27
Rot. Bonds5

About 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine

4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 65305189) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
PubChem CID65305189
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCOc1ccc(CCC(C)(C)CN)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-13(2,9-15)7-6-10-4-5-11(16-3)8-12(10)14/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyNGSWCMPIAUHVQE-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
2-[(2-chloro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 83942427
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 116925195
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine (CID 65305189) is 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine is COc1ccc(CCC(C)(C)CN)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is NGSWCMPIAUHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,9-15)7-6-10-4-5-11(16-3)8-12(10)14/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65305189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).