ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine

C13H23N — CID 177247543

IUPACethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
SMILESCC.CNCc1ccccc1C(C)C
InChIInChI=1S/C11H17N.C2H6/c1-9(2)11-7-5-4-6-10(11)8-12-3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3
InChIKeyVKHBHENMEPYVPN-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.56
Rot. Bonds3

About ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine

ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine (PubChem CID 177247543) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
PubChem CID177247543
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
SMILESCC.CNCc1ccccc1C(C)C
InChIInChI=1S/C11H17N.C2H6/c1-9(2)11-7-5-4-6-10(11)8-12-3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3
InChIKeyVKHBHENMEPYVPN-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
CID 3329133
CID 173166794
CID 173166794
1-benzyl-2-propan-2-ylbenzene
CID 13215617
(2-propan-2-ylphenyl)methanamine
CID 15040708
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
CID 129386809
N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
CID 142619078
4-(methylamino)-1-[2-(methylaminomethyl)phenyl]butane-1,2-diol
CID 171890262
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine?
The IUPAC name of ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine (CID 177247543) is ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine is CC.CNCc1ccccc1C(C)C.
What is the InChIKey of ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine?
The InChIKey is VKHBHENMEPYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-9(2)11-7-5-4-6-10(11)8-12-3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine?
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 177247543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).