1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine

C14H22ClNO — CID 112513504

IUPAC1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
SMILESCCOc1cc(C)c(CC(CC)NC)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-12(16-4)8-11-9-13(15)14(17-6-2)7-10(11)3/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyOXSQBWWUGNEWQT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.59
Rot. Bonds6

About 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine

1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine (PubChem CID 112513504) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
PubChem CID112513504
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
SMILESCCOc1cc(C)c(CC(CC)NC)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-12(16-4)8-11-9-13(15)14(17-6-2)7-10(11)3/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyOXSQBWWUGNEWQT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
CID 112513297
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
CID 112512970
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
CID 110788828
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine?
The IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine (CID 112513504) is 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine is CCOc1cc(C)c(CC(CC)NC)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine?
The InChIKey is OXSQBWWUGNEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-12(16-4)8-11-9-13(15)14(17-6-2)7-10(11)3/h7,9,12,16H,5-6,8H2,1-4H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine?
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 112513504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).