N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride

C15H25Cl2NO — CID 3056373

IUPACN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride
SMILESCc1cc(OCCNC(C)C)c(C(C)C)cc1Cl.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-10(2)13-9-14(16)12(5)8-15(13)18-7-6-17-11(3)4;/h8-11,17H,6-7H2,1-5H3;1H
InChIKeyZTPJETMIXSLNOV-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.57
Rot. Bonds6

About N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride

N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride (PubChem CID 3056373) has the molecular formula C15H25Cl2NO and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride
PubChem CID3056373
Molecular FormulaC15H25Cl2NO
Molecular Weight306.28 g/mol
Exact Mass305.13
IUPAC NameN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride
SMILESCc1cc(OCCNC(C)C)c(C(C)C)cc1Cl.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-10(2)13-9-14(16)12(5)8-15(13)18-7-6-17-11(3)4;/h8-11,17H,6-7H2,1-5H3;1H
InChIKeyZTPJETMIXSLNOV-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride (CID 3056373) is N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride is Cc1cc(OCCNC(C)C)c(C(C)C)cc1Cl.Cl.
What is the InChIKey of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride?
The InChIKey is ZTPJETMIXSLNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO.ClH/c1-10(2)13-9-14(16)12(5)8-15(13)18-7-6-17-11(3)4;/h8-11,17H,6-7H2,1-5H3;1H.
What are the key properties of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride?
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride has a molecular weight of 306.28 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 3056373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).