(2-methylphenyl)methanamine;molecular hydrogen;propane

C11H21N — CID 144873800

IUPAC(2-methylphenyl)methanamine;molecular hydrogen;propane
SMILESCCC.Cc1ccccc1CN.[H][H]
InChIInChI=1S/C8H11N.C3H8.H2/c1-7-4-2-3-5-8(7)6-9;1-3-2;/h2-5H,6,9H2,1H3;3H2,1-2H3;1H
InChIKeyBLECIDZTZNPZEG-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.12
Rot. Bonds1

About (2-methylphenyl)methanamine;molecular hydrogen;propane

(2-methylphenyl)methanamine;molecular hydrogen;propane (PubChem CID 144873800) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2-methylphenyl)methanamine;molecular hydrogen;propane.

Molecular Properties

Compound Name(2-methylphenyl)methanamine;molecular hydrogen;propane
PubChem CID144873800
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2-methylphenyl)methanamine;molecular hydrogen;propane
SMILESCCC.Cc1ccccc1CN.[H][H]
InChIInChI=1S/C8H11N.C3H8.H2/c1-7-4-2-3-5-8(7)6-9;1-3-2;/h2-5H,6,9H2,1H3;3H2,1-2H3;1H
InChIKeyBLECIDZTZNPZEG-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethanethial;(2-methylphenyl)methanamine
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[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
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ethane;2-(2-methylphenyl)ethanamine
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[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
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ethane;(2-methylphenyl)methanethiol
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CID 174868969
CID 174868969
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
(2,4-dimethylphenyl)methanamine;propane
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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methanamine;molecular hydrogen;propane?
The IUPAC name of (2-methylphenyl)methanamine;molecular hydrogen;propane (CID 144873800) is (2-methylphenyl)methanamine;molecular hydrogen;propane.
What is the SMILES notation for (2-methylphenyl)methanamine;molecular hydrogen;propane?
The canonical SMILES for (2-methylphenyl)methanamine;molecular hydrogen;propane is CCC.Cc1ccccc1CN.[H][H].
What is the InChIKey of (2-methylphenyl)methanamine;molecular hydrogen;propane?
The InChIKey is BLECIDZTZNPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C3H8.H2/c1-7-4-2-3-5-8(7)6-9;1-3-2;/h2-5H,6,9H2,1H3;3H2,1-2H3;1H.
What are the key properties of (2-methylphenyl)methanamine;molecular hydrogen;propane?
(2-methylphenyl)methanamine;molecular hydrogen;propane has a molecular weight of 167.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methanamine;molecular hydrogen;propane is sourced from PubChem (CID 144873800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).