4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine

C14H22ClNO — CID 65306448

IUPAC4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-14(2,10-16-3)8-7-11-5-6-12(17-4)9-13(11)15/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyDBEBQNRTMOUPSK-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.53
Rot. Bonds6

About 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine

4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 65306448) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID65306448
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-14(2,10-16-3)8-7-11-5-6-12(17-4)9-13(11)15/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyDBEBQNRTMOUPSK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132718
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65306401
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine (CID 65306448) is 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine is CNCC(C)(C)CCc1ccc(OC)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is DBEBQNRTMOUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,10-16-3)8-7-11-5-6-12(17-4)9-13(11)15/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine?
4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.53, 6 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)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 65306448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).