1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine

C11H16ClN — CID 84774711

IUPAC1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C11H16ClN/c1-8(2)10-4-9(7-13-3)5-11(12)6-10/h4-6,8,13H,7H2,1-3H3
InChIKeyXQPFMKSFLWMYAQ-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine

1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine (PubChem CID 84774711) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
PubChem CID84774711
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C11H16ClN/c1-8(2)10-4-9(7-13-3)5-11(12)6-10/h4-6,8,13H,7H2,1-3H3
InChIKeyXQPFMKSFLWMYAQ-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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Related Compounds

1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457
1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine
CID 69431939
1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652258
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
3-amino-1-(3-chloro-5-propan-2-ylphenyl)propan-1-ol
CID 84791946
1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea
CID 101382533
N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
1-(3-chloro-5-ethylphenyl)ethanamine
CID 84659367
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine (CID 84774711) is 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine is CNCc1cc(Cl)cc(C(C)C)c1.
What is the InChIKey of 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine?
The InChIKey is XQPFMKSFLWMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(2)10-4-9(7-13-3)5-11(12)6-10/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine?
1-(3-chloro-5-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-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84774711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).