1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine

C14H22ClN — CID 168889914

IUPAC1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine
SMILESCCc1cc(C(C)C)c(Cl)cc1CN(C)C
InChIInChI=1S/C14H22ClN/c1-6-11-7-13(10(2)3)14(15)8-12(11)9-16(4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyBLMZIHQDLCUZRQ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine

1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine (PubChem CID 168889914) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine
PubChem CID168889914
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine
SMILESCCc1cc(C(C)C)c(Cl)cc1CN(C)C
InChIInChI=1S/C14H22ClN/c1-6-11-7-13(10(2)3)14(15)8-12(11)9-16(4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyBLMZIHQDLCUZRQ-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine (CID 168889914) is 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine is CCc1cc(C(C)C)c(Cl)cc1CN(C)C.
What is the InChIKey of 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The InChIKey is BLMZIHQDLCUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-6-11-7-13(10(2)3)14(15)8-12(11)9-16(4)5/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine?
1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine has a molecular weight of 239.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 168889914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).