(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C17H26N2 — CID 112680940

IUPAC(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCc1ccc(C)c(C(N)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2/c1-11-4-5-12(2)16(8-11)17(18)13-9-14-6-7-15(10-13)19(14)3/h4-5,8,13-15,17H,6-7,9-10,18H2,1-3H3
InChIKeyTWLPLPLEMLKBEH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.18
Rot. Bonds2

About (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 112680940) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID112680940
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCc1ccc(C)c(C(N)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2/c1-11-4-5-12(2)16(8-11)17(18)13-9-14-6-7-15(10-13)19(14)3/h4-5,8,13-15,17H,6-7,9-10,18H2,1-3H3
InChIKeyTWLPLPLEMLKBEH-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 115998020
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
[(2,4-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265750
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 43198556
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998167
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-methoxyethanamine
CID 116721972
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 112680940) is (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is Cc1ccc(C)c(C(N)C2CC3CCC(C2)N3C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is TWLPLPLEMLKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-11-4-5-12(2)16(8-11)17(18)13-9-14-6-7-15(10-13)19(14)3/h4-5,8,13-15,17H,6-7,9-10,18H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 112680940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).