4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine

C14H22ClNO — CID 112519015

IUPAC4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CCC(C)NC(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)16-11(3)5-6-12-9-13(15)7-8-14(12)17-4/h7-11,16H,5-6H2,1-4H3
InChIKeyTZHZEVCYEFOVQM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine

4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine (PubChem CID 112519015) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
PubChem CID112519015
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CCC(C)NC(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)16-11(3)5-6-12-9-13(15)7-8-14(12)17-4/h7-11,16H,5-6H2,1-4H3
InChIKeyTZHZEVCYEFOVQM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 115215017
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
2-[2-(5-chloro-2-methoxyphenyl)ethylamino]ethanethiol
CID 115224188
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine (CID 112519015) is 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine is COc1ccc(Cl)cc1CCC(C)NC(C)C.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The InChIKey is TZHZEVCYEFOVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)16-11(3)5-6-12-9-13(15)7-8-14(12)17-4/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 112519015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).