N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine

C16H27N — CID 117044196

IUPACN-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)C)cc1CCN(C)C(C)C
InChIInChI=1S/C16H27N/c1-12(2)15-8-7-14(5)16(11-15)9-10-17(6)13(3)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyPNSJQPPXULWBDQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.00
Rot. Bonds5

About N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine

N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine (PubChem CID 117044196) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
PubChem CID117044196
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)C)cc1CCN(C)C(C)C
InChIInChI=1S/C16H27N/c1-12(2)15-8-7-14(5)16(11-15)9-10-17(6)13(3)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyPNSJQPPXULWBDQ-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
[methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]amino]methanethiol
CID 115228441
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
CID 115136280
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-2-amine
CID 117044240
N-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propan-2-amine
CID 117044190
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine (CID 117044196) is N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine is Cc1ccc(C(C)C)cc1CCN(C)C(C)C.
What is the InChIKey of N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine?
The InChIKey is PNSJQPPXULWBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)15-8-7-14(5)16(11-15)9-10-17(6)13(3)4/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine?
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 117044196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).