1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine

C11H16ClN — CID 142068001

IUPAC1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C11H16ClN/c1-8(2)10-6-9(7-13-3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyNXALQPAHUKHOAV-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine

1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine (PubChem CID 142068001) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
PubChem CID142068001
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C11H16ClN/c1-8(2)10-6-9(7-13-3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyNXALQPAHUKHOAV-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine (CID 142068001) is 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine is CNCc1ccc(Cl)c(C(C)C)c1.
What is the InChIKey of 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine?
The InChIKey is NXALQPAHUKHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(2)10-6-9(7-13-3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine?
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine has a molecular weight of 197.71 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 142068001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).