(2-methyl-4-propylphenyl)methanamine

C11H17N — CID 86664509

IUPAC(2-methyl-4-propylphenyl)methanamine
SMILESCCCc1ccc(CN)c(C)c1
InChIInChI=1S/C11H17N/c1-3-4-10-5-6-11(8-12)9(2)7-10/h5-7H,3-4,8,12H2,1-2H3
InChIKeyOQPXUYOCQCVOMQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.41
Rot. Bonds3

About (2-methyl-4-propylphenyl)methanamine

(2-methyl-4-propylphenyl)methanamine (PubChem CID 86664509) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2-methyl-4-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-4-propylphenyl)methanamine
PubChem CID86664509
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2-methyl-4-propylphenyl)methanamine
SMILESCCCc1ccc(CN)c(C)c1
InChIInChI=1S/C11H17N/c1-3-4-10-5-6-11(8-12)9(2)7-10/h5-7H,3-4,8,12H2,1-2H3
InChIKeyOQPXUYOCQCVOMQ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-4-propylphenol
CID 12652118
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094
(2-methyl-4-propylphenyl)methylcycloheptane
CID 123992425
1,2-diethyl-4-propylbenzene
CID 54363919
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
CID 143341982
4-(aminomethyl)-3-methyl-N-propylaniline
CID 81273118
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propylphenyl)methanamine?
The IUPAC name of (2-methyl-4-propylphenyl)methanamine (CID 86664509) is (2-methyl-4-propylphenyl)methanamine.
What is the SMILES notation for (2-methyl-4-propylphenyl)methanamine?
The canonical SMILES for (2-methyl-4-propylphenyl)methanamine is CCCc1ccc(CN)c(C)c1.
What is the InChIKey of (2-methyl-4-propylphenyl)methanamine?
The InChIKey is OQPXUYOCQCVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-10-5-6-11(8-12)9(2)7-10/h5-7H,3-4,8,12H2,1-2H3.
What are the key properties of (2-methyl-4-propylphenyl)methanamine?
(2-methyl-4-propylphenyl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propylphenyl)methanamine is sourced from PubChem (CID 86664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).