N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen

C18H30N2 — CID 156868547

IUPACN-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
SMILESCC(C)CNc1ccccc1.CNCc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C10H15N.C8H11N.2H2/c1-9(2)8-11-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;;/h3-7,9,11H,8H2,1-2H3;2-6,9H,7H2,1H3;2*1H
InChIKeyAWWLLDWBTKAHOV-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.65
Rot. Bonds5

About N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen

N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen (PubChem CID 156868547) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
PubChem CID156868547
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
SMILESCC(C)CNc1ccccc1.CNCc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C10H15N.C8H11N.2H2/c1-9(2)8-11-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;;/h3-7,9,11H,8H2,1-2H3;2-6,9H,7H2,1H3;2*1H
InChIKeyAWWLLDWBTKAHOV-UHFFFAOYSA-N
XLogP4.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Antazoline
CID 2200
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
Trimipramine
CID 5584
N-Ethylaniline
CID 7670
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Desipramine Hydrochloride
CID 65327
Bamipine
CID 72075
Dibenz(b,f)azepine
CID 9212
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen?
The IUPAC name of N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen (CID 156868547) is N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen.
What is the SMILES notation for N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen?
The canonical SMILES for N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen is CC(C)CNc1ccccc1.CNCc1ccccc1.[H][H].[H][H].
What is the InChIKey of N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen?
The InChIKey is AWWLLDWBTKAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C8H11N.2H2/c1-9(2)8-11-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;;/h3-7,9,11H,8H2,1-2H3;2-6,9H,7H2,1H3;2*1H.
What are the key properties of N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen?
N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen has a molecular weight of 274.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen is sourced from PubChem (CID 156868547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).